data_2n2w_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 2n2w _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 75.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 50.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 50.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 50.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 50.0 112.009 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 50.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 50.0 110.746 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 50.0 112.246 -177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 50.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 50.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 50.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 1.1 m-80 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 50.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 50.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 50.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 50.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 50.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 50.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 50.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 50.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 75.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 50.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 50.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.903 0.382 . . . . 25.0 110.785 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.557 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 50.0 116.336 -171.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 50.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 50.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 50.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 50.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 50.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 50.0 109.716 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 50.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 50.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 50.0 112.03 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 50.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 50.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 50.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 50.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 50.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 50.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 50.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 50.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 50.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 50.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 50.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 50.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 50.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' B' ' 20' ' ' GLY . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 50.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.489 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 75.0 110.203 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 50.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 75.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 50.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 50.0 108.831 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 50.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 50.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.489 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 50.0 113.261 174.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 50.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 50.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 50.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 50.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 50.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 50.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 75.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 50.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 50.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 50.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 50.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 50.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 50.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 75.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' B' ' 20' ' ' GLY . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 50.0 116.586 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 50.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 50.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 75.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 50.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 50.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 50.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 50.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 50.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 50.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 50.0 110.081 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 50.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 50.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 50.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 50.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 50.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 50.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 50.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 50.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 75.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 50.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 50.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 50.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 50.0 111.155 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 75.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 50.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 50.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 50.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt . . . . . 0 C--O 1.194 -1.824 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.505 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 50.0 113.361 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 50.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 50.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 50.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 50.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 50.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 50.0 112.015 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 50.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 50.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 50.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 50.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 50.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 50.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 75.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 50.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 50.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 50.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 50.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 50.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 50.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 50.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 50.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 50.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 75.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 50.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 9' ' ' SER . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 50.0 112.306 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 7' ' ' CYS . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 50.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 50.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 50.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 50.0 108.18 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 50.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 50.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 50.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 50.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 50.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 50.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 50.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 50.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 50.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 50.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 50.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 50.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 50.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 50.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 50.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 50.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 50.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 50.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 50.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 50.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 50.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 50.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 50.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 50.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 50.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 50.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 50.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 50.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 50.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 50.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 50.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 50.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 50.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 50.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 50.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 50.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 50.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 50.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 50.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 50.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 50.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 50.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 75.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 50.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 50.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 50.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 50.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 50.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 50.0 111.269 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 50.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.312 -172.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 50.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 50.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 50.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 50.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 50.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 50.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 50.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 50.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 50.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 50.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 50.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 50.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 50.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 50.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 50.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 111.86 0.318 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 75.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 50.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 50.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.422 ' C ' ' HG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 8' ' ' THR . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 50.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 50.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 50.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 50.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 50.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 50.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 50.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 50.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 50.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 50.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 50.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 50.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 50.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 50.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 50.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 50.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 50.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 50.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 50.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.256 1.407 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 50.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 50.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 50.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 50.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 50.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 50.0 111.503 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 50.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 50.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 50.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 50.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 50.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 50.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 50.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 50.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 50.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 50.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 50.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 50.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 50.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 50.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 50.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 50.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 50.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 50.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 50.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 . . . . . 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--O 1.211 -0.957 0 CA-C-O 119.581 -0.247 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 75.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 50.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 50.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 50.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 50.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 50.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 50.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 50.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 50.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 50.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 50.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 50.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 50.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 50.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 50.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 50.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 50.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 50.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 50.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 50.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 50.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 50.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 75.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 50.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 50.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 50.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.243 0.742 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 50.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 50.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 50.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 50.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 50.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 50.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 50.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 50.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.426 ' HH ' ' HB2' ' A' ' 6' ' ' CYS . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 50.0 110.656 169.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 50.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 50.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 50.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 75.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 50.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 50.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 50.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 50.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 50.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 50.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 75.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 50.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 50.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 50.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 50.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 50.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 50.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 50.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 50.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 50.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 50.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 50.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 50.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 50.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 50.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 50.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 50.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 50.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 50.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 50.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 50.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 75.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 50.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 50.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 50.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 120.161 0.029 . . . . 25.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 75.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 50.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 50.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 50.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 50.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 50.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 50.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 50.0 108.437 172.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 50.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 50.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 50.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 50.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 50.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 50.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 50.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 50.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 50.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 75.0 111.913 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 50.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 50.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 50.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 50.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 50.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 50.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 50.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 50.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 50.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 50.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 75.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 50.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 50.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 50.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 50.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 50.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 50.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 50.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 50.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 50.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 50.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 50.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 50.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 50.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 50.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 50.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 50.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 50.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 50.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 50.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 50.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 50.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 50.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 50.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 75.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 50.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 50.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 50.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 50.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 50.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 50.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 50.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 50.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 50.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 50.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 50.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 50.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 50.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 50.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 50.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.541 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 50.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 50.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 50.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 50.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 75.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 50.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 50.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 50.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 75.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 50.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 50.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 50.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 50.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 50.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 50.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 50.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 50.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 50.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 50.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 50.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 50.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 50.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 50.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 75.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 50.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 50.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 50.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 50.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 50.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 50.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 50.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 50.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 50.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.44 -0.928 0 CA-C-O 121.643 0.735 . . . . 25.0 110.351 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.546 HG21 ' HH ' ' A' ' 19' ' ' TYR . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 75.0 108.451 -172.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 50.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 50.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 50.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 50.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 50.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 50.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 50.0 109.38 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 50.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 50.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.546 ' HH ' HG21 ' A' ' 3' ' ' VAL . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 50.0 111.749 171.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 50.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 50.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 50.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 50.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 50.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 75.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 50.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 50.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 50.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 50.0 111.882 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 50.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 50.0 109.03 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 50.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 50.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 50.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 50.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 118.38 -0.819 . . . . 25.0 110.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 50.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 50.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 50.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 50.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 50.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 50.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 50.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 50.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 50.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 50.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 50.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 50.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 50.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 50.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 50.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 50.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 50.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 50.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 50.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 50.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 50.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 50.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 50.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 50.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.465 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 75.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 50.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 50.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 50.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 75.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' C ' ' H ' ' A' ' 9' ' ' SER . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 50.0 116.059 -171.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 7' ' ' CYS . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 50.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 50.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 50.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 50.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 50.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 50.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 50.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 50.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 50.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 50.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 50.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 50.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 50.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 75.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 50.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 50.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 50.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 50.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 50.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 50.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 50.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 50.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 50.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 75.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 50.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 50.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 50.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 50.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 50.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 50.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 50.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 50.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 50.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 50.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 50.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 50.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 50.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 50.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 50.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 50.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 50.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 50.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 50.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 50.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 50.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 50.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 50.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 50.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 50.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 50.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 50.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 50.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 50.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 50.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 50.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 50.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 50.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 50.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 50.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 50.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 50.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 50.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 50.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 50.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 50.0 109.03 178.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 50.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 50.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 50.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 75.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 50.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 50.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 50.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 50.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 50.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 50.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 50.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 50.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 50.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 50.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 50.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 50.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 50.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 50.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.657 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 50.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 50.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 50.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 50.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 50.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 50.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 50.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 50.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 50.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 50.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 50.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 50.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 50.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.657 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 50.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 50.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.562 1.437 0 N-CA-C 113.839 1.052 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 75.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 50.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 75.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 50.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 50.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 50.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 50.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 50.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 50.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 50.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 50.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 50.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 50.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 50.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 50.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 50.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 75.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 50.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 50.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 50.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 50.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 50.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 50.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 50.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 50.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 50.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 50.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 50.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 N--CA 1.512 2.657 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 75.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 50.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 50.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 50.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 50.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 50.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 50.0 111.279 173.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 50.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 50.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 50.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 50.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 50.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 50.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 50.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 50.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 50.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 50.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 50.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 50.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 50.0 111.39 178.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 50.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 50.0 113.876 -174.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 75.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 50.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 50.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 50.0 112.022 176.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 50.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 50.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 50.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 50.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 50.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 50.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 50.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 50.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 50.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 50.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 50.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 50.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 50.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 50.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 50.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 50.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 50.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 50.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 50.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 50.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 50.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 50.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 50.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 75.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 50.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 50.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 50.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 50.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 50.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 50.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 50.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 50.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 50.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 50.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 50.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 50.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 50.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 50.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 50.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 50.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 50.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 50.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 50.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 50.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 50.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 50.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' B' ' 20' ' ' GLY . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 50.0 112.753 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 50.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 50.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 CA--C 1.572 1.794 0 N-CA-C 114.286 1.217 . . . . 25.0 114.286 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 75.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 50.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 50.0 114.253 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 7' ' ' CYS . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 50.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 50.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 50.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 50.0 106.318 177.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 50.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 50.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 50.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 50.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 50.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 50.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 50.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 50.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 50.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 50.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 50.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 50.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 50.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 50.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 50.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 50.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 50.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 50.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 50.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 50.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 50.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 50.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 50.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 50.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 50.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 50.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 50.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 50.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 50.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 50.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 50.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 50.0 104.62 177.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 50.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 50.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 50.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 50.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 50.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 50.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 50.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 50.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 50.0 111.285 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 50.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 50.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 50.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 50.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 50.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 50.0 105.931 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 50.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 50.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 50.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 50.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 50.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 50.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 50.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 50.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 50.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 50.0 114.073 -167.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 50.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 50.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 50.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 50.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 50.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 50.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 50.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 50.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 50.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 50.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 50.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 50.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' GLY . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 50.0 112.829 171.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 50.0 117.876 -175.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 50.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.103 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.69 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -62.11 -35.38 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.953 1.377 . . . . 25.0 112.671 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 75.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 50.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 50.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 50.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 50.0 112.009 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 50.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 50.0 110.746 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 50.0 112.246 -177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 50.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 50.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 50.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 1.1 m-80 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 50.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 50.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 50.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 50.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 50.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 50.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 50.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 50.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 50.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 50.0 112.29 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 75.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 50.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.517 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 50.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -130.87 122.06 26.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -70.28 155.68 93.06 Favored Pre-proline 0 C--N 1.349 0.573 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.258 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.07 110.29 2.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 116.164 -2.091 . . . . 50.0 112.279 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 115.33 -2.271 . . . . 25.0 105.101 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.39 -1.228 . . . . 25.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt -111.58 -39.61 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.142 0.971 . . . . 25.0 110.785 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.557 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 50.0 116.336 -171.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 50.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 50.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 50.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 50.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 50.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 50.0 109.716 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 50.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 50.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 50.0 112.03 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 50.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 50.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 50.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 50.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 50.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 50.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 50.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 50.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 50.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 50.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 50.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 50.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 50.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 50.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' B' ' 20' ' ' GLY . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 50.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -140.22 102.44 4.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -70.0 165.07 46.45 Favored Pre-proline 0 C--N 1.349 0.557 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.85 82.75 1.46 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 116.397 -1.936 . . . . 50.0 112.769 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.478 -1.725 . . . . 25.0 107.167 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -61.19 -33.0 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 75.0 110.203 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 50.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 75.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 50.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 50.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 50.0 108.831 174.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 50.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 50.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.489 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 50.0 113.261 174.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 50.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 50.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 50.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 50.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 50.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 50.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 75.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 50.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 50.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 50.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 50.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 50.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 50.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 75.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' B' ' 20' ' ' GLY . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 50.0 116.586 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 50.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 50.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -140.32 124.49 17.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.1 p -63.69 158.01 62.83 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.0 130.05 24.78 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 113.31 -3.993 . . . . 50.0 114.504 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.36 1.028 0 CA-C-O 117.129 -1.415 . . . . 25.0 109.511 -178.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.25 -30.32 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 75.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 50.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 50.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 50.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 50.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 50.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 50.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 50.0 110.081 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 50.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 50.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 50.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 50.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 50.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.415 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 50.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 50.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 50.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 75.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 50.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 50.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 50.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 50.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 50.0 111.155 -177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 75.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 50.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 50.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 50.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.04 74.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -72.7 156.08 90.33 Favored Pre-proline 0 C--N 1.352 0.717 0 N-CA-C 104.127 -2.546 . . . . 25.0 104.127 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.14 107.36 1.53 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 115.725 -2.383 . . . . 50.0 114.171 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.249 1.078 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -178.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 110.115 -1.194 . . . . 25.0 110.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.24 -34.82 65.93 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.824 0 CA-C-N 117.649 0.725 . . . . 25.0 112.455 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.505 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 50.0 113.361 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 50.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 50.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 50.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 50.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 50.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 50.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 50.0 112.015 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 50.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 50.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 50.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 50.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 50.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 50.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 75.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 50.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 50.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 50.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 50.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 50.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 50.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 50.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 50.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 50.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 50.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -137.73 97.83 3.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.0 p 73.08 155.32 0.16 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 130.065 3.346 . . . . 25.0 106.771 -170.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.47 102.37 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 N-CA-C 116.359 1.638 . . . . 50.0 116.359 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.497 -1.084 0 C-N-CA 126.563 1.945 . . . . 25.0 105.761 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.65 -1.639 . . . . 25.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -135.74 -36.07 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 119.063 1.432 . . . . 25.0 112.593 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 75.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 50.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 9' ' ' SER . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 50.0 112.306 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 7' ' ' CYS . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 50.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 50.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 50.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 50.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 50.0 108.18 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 50.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 50.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 50.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 50.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 50.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 50.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 50.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 50.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 50.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 50.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 50.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 50.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 50.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 50.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 50.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 50.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 50.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 50.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 47.64 96.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.1 p -67.41 160.5 71.55 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 171.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.39 138.63 66.78 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 116.032 -2.179 . . . . 50.0 112.341 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 -177.154 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.166 0 CA-C-O 118.112 -1.382 . . . . 25.0 111.678 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.05 -33.83 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 119.532 1.666 . . . . 25.0 114.243 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 50.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 50.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 50.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 50.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 50.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 50.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 50.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 50.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 50.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 50.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 50.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 50.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 50.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 50.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 50.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 50.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 50.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 50.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 50.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 50.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 50.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 50.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 50.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 50.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 50.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 49.32 65.1 1.49 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.3 p 74.44 165.91 0.13 Allowed Pre-proline 0 N--CA 1.489 1.511 0 C-N-CA 129.165 2.986 . . . . 25.0 108.682 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.82 127.81 22.57 Favored 'Trans proline' 0 C--O 1.216 -0.587 0 C-N-CA 116.79 -1.674 . . . . 50.0 113.163 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.255 1.352 0 N-CA-C 104.493 -2.41 . . . . 25.0 104.493 174.205 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.486 0 CA-C-O 116.907 -2.052 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -149.25 -26.73 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 119.081 1.441 . . . . 25.0 112.242 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 75.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 50.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 50.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 50.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 50.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 50.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 50.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 50.0 111.269 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 50.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 50.0 111.312 -172.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 50.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 50.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 50.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 50.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 50.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 50.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 50.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 50.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 50.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 50.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 50.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 50.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 50.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 50.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 50.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -136.59 125.34 23.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.44 144.36 95.46 Favored Pre-proline 0 C--N 1.362 1.139 0 N-CA-C 104.223 -2.51 . . . . 25.0 104.223 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -57.2 143.21 94.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 O-C-N 122.679 0.831 . . . . 50.0 114.124 -176.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 103.191 -2.892 . . . . 25.0 103.191 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 119.157 -0.802 . . . . 25.0 111.401 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt -137.32 -32.45 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 117.385 0.593 . . . . 25.0 111.86 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 75.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 50.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 50.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.422 ' C ' ' HG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 8' ' ' THR . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 50.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 50.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 50.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 50.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 50.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 50.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 50.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 50.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 50.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 50.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 50.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 50.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 50.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 50.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 50.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 50.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 50.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 50.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 50.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 50.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 50.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 57.9 94.93 0.03 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.601 ' O ' ' HD2' ' B' ' 29' ' ' HIX . 3.3 p -68.13 161.8 65.34 Favored Pre-proline 0 C--N 1.36 1.045 0 N-CA-C 104.603 -2.369 . . . . 25.0 104.603 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -65.29 145.88 84.75 Favored 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 114.961 -2.893 . . . . 50.0 116.909 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.601 ' HD2' ' O ' ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.121 -1.807 . . . . 25.0 106.121 -179.497 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.496 0 CA-C-O 119.735 -0.481 . . . . 25.0 113.036 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -60.27 -35.04 59.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 CA-C-N 118.528 1.164 . . . . 25.0 113.297 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 50.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 50.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 50.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 50.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 50.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 50.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 50.0 111.503 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 50.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 50.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 50.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 50.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 50.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 50.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 50.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 50.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 50.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 50.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 50.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 50.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 50.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 50.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 50.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 50.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 50.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 50.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 50.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -143.53 101.34 3.76 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.4 p 70.85 158.67 0.16 Allowed Pre-proline 0 N--CA 1.498 1.959 0 C-N-CA 129.047 2.939 . . . . 25.0 107.127 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.1 140.39 41.31 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 116.805 -1.663 . . . . 50.0 114.405 -174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.257 1.449 0 O-C-N 126.459 2.35 . . . . 25.0 111.007 -174.595 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 116.507 -2.274 . . . . 25.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -133.09 -27.35 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 120.063 1.931 . . . . 25.0 111.63 -174.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 75.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 50.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 50.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 50.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 50.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 50.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 50.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 50.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 50.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 50.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 50.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 50.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 50.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 50.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 50.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 50.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 50.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 50.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 50.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 50.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 50.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 50.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 50.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 50.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 75.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 50.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 50.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 50.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -85.12 91.76 8.2 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p 80.03 159.62 0.13 Allowed Pre-proline 0 C--N 1.384 2.091 0 C-N-CA 131.32 3.848 . . . . 25.0 108.008 -171.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.72 78.33 3.73 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 114.48 -3.213 . . . . 50.0 115.013 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.392 2.435 0 C-N-CA 129.289 3.036 . . . . 25.0 106.797 -173.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 CA-C-O 118.346 -1.252 . . . . 25.0 111.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -72.79 -30.61 33.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 118.447 1.123 . . . . 25.0 112.853 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 50.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 50.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 50.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 50.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 50.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 50.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 50.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 50.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' HH ' ' HB2' ' A' ' 6' ' ' CYS . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 50.0 110.656 169.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 50.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 50.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 50.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 50.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 75.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 50.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 50.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 50.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 50.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 50.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 50.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 75.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 50.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 50.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 50.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -136.89 117.35 13.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 35.9 p -69.18 155.31 93.81 Favored Pre-proline 0 C--N 1.35 0.616 0 CA-C-N 114.273 -1.331 . . . . 25.0 108.103 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.8 90.08 0.96 Allowed 'Trans proline' 0 C--O 1.244 0.797 0 C-N-CA 116.987 -1.542 . . . . 50.0 113.393 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.352 0.697 0 N-CA-C 106.348 -1.723 . . . . 25.0 106.348 -177.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 117.62 -1.656 . . . . 25.0 109.821 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.35 -34.98 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' HA ' ' HH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 50.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 50.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 50.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 50.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 50.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 50.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 50.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' HH ' ' HA ' ' A' ' 3' ' ' VAL . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 175.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 50.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 50.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 50.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 50.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 50.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 50.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 50.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 50.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 50.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 50.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 50.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 75.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 50.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 50.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 50.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -126.17 106.91 9.89 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -68.99 158.91 85.12 Favored Pre-proline 0 CA--C 1.511 -0.547 0 O-C-N 124.645 1.216 . . . . 25.0 110.664 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.47 107.34 1.97 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 116.601 -1.799 . . . . 50.0 114.095 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 51.8 p . . . . . 0 C--O 1.254 1.304 0 CA-C-N 112.79 -2.004 . . . . 25.0 110.479 -177.308 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.797 0 CA-C-O 119.059 -0.856 . . . . 25.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.95 -23.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 122.928 0.491 . . . . 25.0 110.958 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 75.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 50.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 50.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 50.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 50.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 50.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 50.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 50.0 108.437 172.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 50.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 50.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 50.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 50.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 50.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 50.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 50.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 50.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 50.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 75.0 111.913 -175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 50.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 50.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 50.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 50.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 50.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 50.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 50.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 50.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 50.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 50.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 50.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 19.82 84.61 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . 0.435 ' C ' ' HG1' ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' B' ' 26' ' ' NVA . 0.8 OUTLIER 148.01 162.22 0.0 OUTLIER Pre-proline 0 C--N 1.377 1.768 1 C-N-CA 134.561 5.145 . . . . 25.0 101.813 175.046 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.51 128.35 16.12 Favored 'Trans proline' 0 C--N 1.36 1.163 1 C-N-CA 111.463 -5.225 . . . . 50.0 111.279 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.399 2.742 0 CA-C-O 116.735 -1.602 . . . . 25.0 114.016 -169.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.638 0 CA-C-O 118.358 -1.246 . . . . 25.0 110.609 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -62.41 -34.55 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.21 1.005 . . . . 25.0 109.858 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 75.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 50.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 50.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 50.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 50.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 50.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 50.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 50.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 50.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 50.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 50.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 50.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 50.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 50.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 50.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 50.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 50.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 50.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 50.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 50.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 50.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 50.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 50.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 50.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 75.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 50.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 50.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 50.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -143.75 78.23 1.58 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 p 71.31 158.26 0.16 Allowed Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 129.281 3.032 . . . . 25.0 109.316 -172.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.11 142.49 98.47 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 116.288 -2.008 . . . . 50.0 114.25 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.26 1.655 0 C-N-CA 125.49 1.516 . . . . 25.0 107.915 -178.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.331 0 N-CA-C 110.805 -0.918 . . . . 25.0 110.805 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.9 -27.63 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 50.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 50.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 50.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 50.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 50.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 50.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 50.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 50.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 50.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 50.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 50.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 50.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 50.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 50.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.541 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 50.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 50.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 50.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 50.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 75.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 50.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 50.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 50.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -135.46 104.56 5.88 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p -64.44 154.95 82.51 Favored Pre-proline 0 C--O 1.196 -1.733 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 175.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.85 136.07 74.31 Favored 'Trans proline' 0 C--O 1.241 0.638 0 C-N-CA 116.18 -2.08 . . . . 50.0 112.387 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 125.252 1.421 . . . . 25.0 110.69 -170.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.66 0 CA-C-O 117.493 -1.726 . . . . 25.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -61.33 -32.47 53.23 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 -169.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 75.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 50.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 50.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 50.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 50.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 50.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 50.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 50.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 50.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 50.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 50.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 50.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 50.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 50.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 50.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 50.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 75.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 50.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 50.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 50.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 50.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 50.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 50.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 50.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 50.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 50.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -100.61 -62.96 1.18 Allowed 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -69.07 160.25 79.35 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-N 113.573 -1.649 . . . . 25.0 109.665 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.39 116.05 4.45 Favored 'Trans proline' 0 C--O 1.2 -1.391 0 C-N-CA 114.09 -3.474 . . . . 50.0 111.779 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.376 1.721 0 CA-C-N 113.38 -1.737 . . . . 25.0 108.339 178.81 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 117.854 -1.525 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.94 -30.47 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 117.836 0.818 . . . . 25.0 110.351 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.546 HG21 ' HH ' ' A' ' 19' ' ' TYR . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 75.0 108.451 -172.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 50.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 50.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 50.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 50.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 50.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 50.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 50.0 109.38 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 50.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 50.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.546 ' HH ' HG21 ' A' ' 3' ' ' VAL . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 50.0 111.749 171.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 50.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 50.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 50.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 50.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 50.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 50.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 75.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 50.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 50.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 50.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 50.0 111.882 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 50.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 50.0 109.03 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 50.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 50.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 50.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 50.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.85 105.44 10.02 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.76 159.91 82.05 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 102.91 -2.996 . . . . 25.0 102.91 168.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.05 111.52 2.89 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 114.991 -2.872 . . . . 50.0 111.341 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.367 1.354 0 N-CA-C 106.238 -1.764 . . . . 25.0 106.238 -177.829 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.54 5.567 0 CA-C-O 122.261 0.923 . . . . 25.0 111.969 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.11 -31.22 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 120.804 -1.409 . . . . 25.0 110.45 -177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 50.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 50.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 50.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 50.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 50.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 50.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 50.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 50.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 50.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 50.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 50.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 50.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 50.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 50.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 50.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 50.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 50.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 50.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 50.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 50.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 50.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 50.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 50.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 50.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.465 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 75.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 50.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 50.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 50.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -135.28 113.32 11.17 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -64.32 160.03 53.54 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.792 1.237 . . . . 25.0 108.801 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.18 80.01 3.0 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 CA-C-O 122.52 0.967 . . . . 50.0 113.725 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 114.747 -2.549 . . . . 25.0 108.884 179.481 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.186 -2.885 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.17 -42.38 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 75.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' C ' ' H ' ' A' ' 9' ' ' SER . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 50.0 116.059 -171.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 7' ' ' CYS . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 50.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 50.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 50.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 50.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 50.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 50.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 50.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 50.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 50.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 50.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 50.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 50.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 50.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 75.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 50.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 50.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 50.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 50.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 50.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 50.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 50.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 50.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 50.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 53.68 95.3 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.587 ' O ' ' HD2' ' B' ' 29' ' ' HIX . 36.9 p -65.45 149.22 97.43 Favored Pre-proline 0 CA--C 1.556 1.204 0 O-C-N 119.229 -2.169 . . . . 25.0 108.333 172.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.1 136.68 66.62 Favored 'Trans proline' 0 C--O 1.266 1.894 0 N-CA-C 118.256 2.368 . . . . 50.0 118.256 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.587 ' HD2' ' O ' ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.376 1.734 0 CA-C-O 116.065 -1.922 . . . . 25.0 105.977 -178.23 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 117.545 -1.697 . . . . 25.0 112.797 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -142.87 -37.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-N 118.789 1.295 . . . . 25.0 113.537 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 75.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 50.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 50.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 50.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 50.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 50.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 50.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 50.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 50.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 50.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 50.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 50.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 50.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 50.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 50.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 50.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 50.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 50.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 50.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 50.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 50.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 50.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 50.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 50.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 50.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 48.87 92.25 0.02 OUTLIER 'General case' 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -78.42 167.09 38.21 Favored Pre-proline 0 C--N 1.386 2.185 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 174.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -70.57 142.58 44.7 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 115.965 -2.223 . . . . 50.0 113.116 177.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.892 2.077 . . . . 25.0 109.013 -176.884 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.76 0 CA-C-O 117.939 -1.478 . . . . 25.0 113.167 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -111.02 -33.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 50.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 50.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 50.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 50.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 50.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 50.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 50.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 50.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 50.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 50.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 50.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 50.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 50.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 50.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 50.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 50.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 50.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 50.0 109.03 178.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 50.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 50.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 50.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 75.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 50.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 50.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 50.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -129.14 113.96 15.73 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -61.17 149.25 82.97 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 176.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.71 95.92 0.49 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 N-CA-C 118.008 2.272 . . . . 50.0 118.008 -173.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.609 0 CA-C-N 113.553 -1.658 . . . . 25.0 110.584 -176.863 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.197 -2.197 0 CA-C-O 118.501 -1.166 . . . . 25.0 111.842 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -139.95 -31.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 50.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 50.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 50.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 50.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 50.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 50.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 50.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 50.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 50.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 50.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 50.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.657 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 50.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 50.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 50.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 50.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 50.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 50.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.422 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 50.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 50.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 50.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 50.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 50.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 50.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 50.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 50.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.657 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 50.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 50.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -103.63 118.96 37.93 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -68.17 154.15 94.41 Favored Pre-proline 0 N--CA 1.491 1.586 0 N-CA-C 102.886 -3.005 . . . . 25.0 102.886 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.96 139.87 69.89 Favored 'Trans proline' 0 C--O 1.199 -1.451 0 O-C-N 122.606 0.793 . . . . 50.0 113.571 -173.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 114.844 -2.503 . . . . 25.0 109.483 -174.755 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.055 0 CA-C-O 115.824 -2.653 . . . . 25.0 110.832 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.88 -21.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.437 0 CA-C-N 120.899 2.35 . . . . 25.0 113.839 178.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 75.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 50.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 75.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 50.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 50.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 50.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 50.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 50.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 50.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 50.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 50.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 50.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 50.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 50.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 50.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 50.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 75.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 50.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 50.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 50.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 50.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 50.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 50.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 50.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 50.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.425 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 50.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 50.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 50.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -88.51 -59.85 2.12 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.492 ' O ' ' HD2' ' B' ' 29' ' ' HIX . 21.3 p -61.01 152.0 72.52 Favored Pre-proline 0 N--CA 1.488 1.431 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 177.465 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.47 140.32 68.88 Favored 'Trans proline' 0 C--N 1.361 1.205 1 C-N-CA 112.642 -4.438 . . . . 50.0 114.598 -171.194 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.492 ' HD2' ' O ' ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.367 1.364 0 N-CA-C 104.971 -2.233 . . . . 25.0 104.971 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 117.039 -1.978 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -137.88 -36.87 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.657 0 CA-C-N 118.415 1.107 . . . . 25.0 112.366 -179.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 75.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 50.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 50.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 50.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 50.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 50.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 50.0 111.279 173.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 50.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 50.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 50.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 50.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 50.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 50.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 50.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 50.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 50.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 50.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 50.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 50.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 50.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 50.0 111.39 178.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 50.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 50.0 113.876 -174.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 75.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 50.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 50.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 50.0 112.022 176.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.79 106.11 4.4 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' B' ' 28' ' ' PRO . 43.7 p 65.04 162.55 0.12 Allowed Pre-proline 0 C--N 1.381 1.937 0 C-N-CA 127.603 2.361 . . . . 25.0 112.181 -178.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' B' ' 27' ' ' THR . 88.9 Cg_endo -78.82 97.91 1.16 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 115.232 -2.712 . . . . 50.0 116.244 -172.072 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.253 1.243 0 O-C-N 125.736 1.897 . . . . 25.0 108.256 179.119 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.362 0 CA-C-O 119.271 -0.738 . . . . 25.0 111.953 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -95.13 -42.13 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -177.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 50.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 50.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.559 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 50.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 50.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 50.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 50.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 50.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 50.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 50.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 50.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 50.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 50.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 50.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 50.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 50.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 50.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 50.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 50.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 50.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 50.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 50.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 50.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 50.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 50.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 50.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 51.78 91.78 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 171.73 168.39 0.22 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 130.531 3.532 . . . . 25.0 102.076 -179.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.12 113.98 3.92 Favored 'Trans proline' 0 C--N 1.368 1.593 0 C-N-CA 114.003 -3.532 . . . . 50.0 111.593 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.261 1.702 0 C-N-CA 127.913 2.485 . . . . 25.0 107.512 -179.27 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 115.344 -2.92 . . . . 25.0 109.746 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.34 -38.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.44 2.62 . . . . 25.0 112.905 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 75.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 50.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 50.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 50.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 50.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 50.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 50.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 50.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 50.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 50.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 50.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 50.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 50.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 50.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 50.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 50.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 50.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 50.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 50.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 50.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 50.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 50.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 50.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 50.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 50.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' B' ' 20' ' ' GLY . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 50.0 112.753 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 50.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 50.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -112.49 136.82 51.54 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -63.91 140.66 97.9 Favored Pre-proline 0 N--CA 1.427 -1.595 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -71.17 108.57 2.37 Favored 'Trans proline' 0 CA--C 1.5 -1.211 0 N-CA-C 117.108 1.926 . . . . 50.0 117.108 -163.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.354 0.796 0 CA-C-N 112.776 -2.011 . . . . 25.0 108.959 175.513 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.394 0 CA-C-O 117.419 -1.767 . . . . 25.0 112.552 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt -136.95 -44.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-N 119.274 1.537 . . . . 25.0 114.286 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 75.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 50.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 50.0 114.253 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 7' ' ' CYS . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 50.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 50.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 50.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 50.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 50.0 106.318 177.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 50.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 50.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 50.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 50.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 50.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 50.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 50.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 50.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 50.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 50.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 50.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 50.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 50.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 50.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 50.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 50.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 50.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 50.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 50.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 50.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -100.4 -70.02 0.75 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.415 ' O ' ' HD2' ' B' ' 29' ' ' HIX . 67.9 p -73.06 159.14 85.94 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 126.204 1.801 . . . . 25.0 109.691 177.527 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -69.47 102.63 1.0 Allowed 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 115.954 -2.231 . . . . 50.0 114.098 178.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.415 ' HD2' ' O ' ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.886 0 N-CA-C 102.32 -3.215 . . . . 25.0 102.32 -173.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.426 -1.763 . . . . 25.0 111.37 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -68.77 -28.73 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 50.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 50.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 50.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 50.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 50.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 50.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 50.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 50.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 50.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 50.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 50.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 50.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 50.0 104.62 177.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 50.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 50.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 50.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 50.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 50.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 50.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 50.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 50.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 50.0 111.285 -178.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 50.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 50.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 50.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 50.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 50.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 50.0 105.931 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -135.56 137.46 42.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 161.95 76.69 Favored Pre-proline 0 C--N 1.367 1.351 0 C-N-CA 125.509 1.524 . . . . 25.0 107.856 178.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.51 128.13 17.66 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 114.396 -3.269 . . . . 50.0 113.625 -175.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 C--N 1.41 3.236 0 CA-C-O 115.495 -2.193 . . . . 25.0 106.906 179.719 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.519 4.167 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.61 -36.32 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 -178.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 50.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 50.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 50.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 50.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 50.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 50.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 50.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 50.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 50.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 50.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 50.0 114.073 -167.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 50.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 50.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 50.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 50.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 50.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 50.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 50.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 50.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 50.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 50.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 50.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 50.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' GLY . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 50.0 112.829 171.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 50.0 117.876 -175.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 50.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.07 102.97 6.96 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -71.88 166.92 35.8 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 113.422 -1.717 . . . . 25.0 109.7 -178.526 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.73 115.03 4.19 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 113.527 -3.848 . . . . 50.0 111.787 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.415 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 25.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 25.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 25.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' B' ' 14' ' ' ALA . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 25.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 25.0 112.246 -177.299 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 25.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 25.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 25.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 3.6 m-20 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 25.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 25.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 25.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 25.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 25.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' LEU . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 25.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 25.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 25.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.903 0.382 . . . . 25.0 110.785 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 25.0 116.336 -171.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 25.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 25.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 25.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.716 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 25.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 25.0 112.03 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 25.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 25.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 25.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 25.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 25.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 25.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 25.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 25.0 110.203 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 25.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 25.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 25.0 108.831 174.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 25.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 25.0 113.261 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 25.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 25.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 25.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 25.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 25.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 25.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 25.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 25.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 25.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 25.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 25.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 25.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 25.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 25.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 25.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 25.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.081 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 25.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 25.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 25.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 25.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 25.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 25.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 25.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 25.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 25.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 16' ' ' LEU . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 25.0 111.155 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 25.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 25.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt . . . . . 0 C--O 1.194 -1.824 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 25.0 113.361 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 25.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 25.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 25.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 25.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 25.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 25.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 25.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 25.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 25.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 25.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 25.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 25.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 25.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 25.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 25.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 25.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 25.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 25.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 25.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 25.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 25.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 25.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 25.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.462 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 25.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 25.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 25.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 25.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 25.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 25.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 25.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 25.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 25.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 25.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 25.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 25.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 25.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 25.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 25.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 25.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 25.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 25.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 25.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 25.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 25.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 25.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 25.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 25.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 25.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 25.0 111.269 -179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.312 -172.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 25.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 25.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 25.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 25.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 25.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 25.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 25.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 25.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 25.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 25.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 111.86 0.318 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 25.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 25.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 25.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 25.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 25.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 25.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 25.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 25.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 25.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 25.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 25.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 25.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 25.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 25.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 25.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 25.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.256 1.407 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 25.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 25.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 25.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 25.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 25.0 111.503 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 25.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 25.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 25.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 25.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 25.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 25.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 25.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 25.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 25.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 25.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 25.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 25.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 25.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 . . . . . 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--O 1.211 -0.957 0 CA-C-O 119.581 -0.247 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 25.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 25.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 25.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 25.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 25.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 25.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 25.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 25.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 25.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 25.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 25.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 25.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 25.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 25.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 25.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 25.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 25.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 25.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 25.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 25.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.243 0.742 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 25.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 25.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 25.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 25.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 25.0 110.656 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 25.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 25.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 25.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 25.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 25.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 25.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 25.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 25.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 25.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 25.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 25.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 25.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 25.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 25.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 25.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 25.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 25.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 25.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 25.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 25.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 25.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 25.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 120.161 0.029 . . . . 25.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 25.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 25.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 25.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HB3' HD23 ' B' ' 6' ' ' LEU . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 25.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 25.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 25.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 25.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 25.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 25.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 25.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 25.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 25.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 25.0 111.913 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 25.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 25.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 25.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 25.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 25.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 25.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 25.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 25.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 25.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 25.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 25.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 25.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 25.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 25.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 25.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 25.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 25.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 25.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 25.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 25.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 25.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 25.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 25.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 25.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 25.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 25.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 25.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 25.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 25.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 25.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 25.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 25.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 25.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 25.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 25.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 25.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 25.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 25.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 25.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 25.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 25.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 25.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 25.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 25.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 25.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 25.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 25.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 25.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 25.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 25.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 25.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 25.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 25.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 25.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 25.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 25.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 25.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 25.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 25.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 25.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 25.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 25.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 25.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 25.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 25.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 25.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.44 -0.928 0 CA-C-O 121.643 0.735 . . . . 25.0 110.351 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 25.0 108.451 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 25.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 25.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 25.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 25.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 25.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 HG21 ' B' ' 18' ' ' VAL . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 25.0 109.38 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 25.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 25.0 111.749 171.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 25.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 25.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 25.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 25.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 25.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 16' ' ' LEU . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.477 HG21 HD13 ' A' ' 16' ' ' LEU . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 25.0 109.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 25.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 25.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 25.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 118.38 -0.819 . . . . 25.0 110.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 25.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 25.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 25.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 25.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 25.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 25.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 25.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 25.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 25.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 25.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 25.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 25.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 25.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 25.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 25.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 25.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 25.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 25.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 25.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 25.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 25.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 25.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 25.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 25.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 25.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 25.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 25.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 25.0 116.059 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 25.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 25.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 25.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 25.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 25.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 25.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 25.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 25.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 25.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 25.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 25.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 25.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 25.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 25.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 25.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 25.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 25.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 25.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 25.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 25.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 25.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 25.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 25.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 25.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 25.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 25.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 25.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 25.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 25.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 25.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 25.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 25.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 25.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 25.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 25.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 25.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 25.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 25.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 25.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 25.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 25.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 25.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 25.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 25.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 25.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 25.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 25.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 25.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 25.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 25.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.03 178.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 25.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 25.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 25.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 25.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 25.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 25.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 25.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 25.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 25.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 25.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 25.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 25.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 25.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 25.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.646 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 25.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 25.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 25.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 25.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 25.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 25.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 25.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 25.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 25.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 25.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 25.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.562 1.437 0 N-CA-C 113.839 1.052 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 25.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 25.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 25.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 25.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 25.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 25.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 25.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 25.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 25.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 25.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 25.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 25.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 25.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 25.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 25.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 25.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 25.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 25.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 25.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 25.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 25.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 25.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 25.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 N--CA 1.512 2.657 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 25.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 25.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 25.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 25.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.593 HD13 HG21 ' B' ' 18' ' ' VAL . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.279 173.602 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 25.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 25.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 25.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 25.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 25.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 25.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 25.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 25.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 25.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 25.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 24' ' ' PHE . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 25.0 111.39 178.19 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 16' ' ' LEU . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -174.578 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 25.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 25.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 25.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.479 ' HB3' HD12 ' B' ' 15' ' ' LEU . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 25.0 112.022 176.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 25.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 25.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 25.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 25.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 25.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 25.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 25.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 25.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 25.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 25.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 25.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 25.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 25.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 25.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 25.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 25.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 25.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 25.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 25.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 25.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 25.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 25.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 25.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 25.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 25.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 25.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 25.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 25.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 25.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 25.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 25.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 25.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 25.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 25.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 25.0 112.753 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 25.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 25.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 CA--C 1.572 1.794 0 N-CA-C 114.286 1.217 . . . . 25.0 114.286 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 25.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 25.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 25.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 25.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 25.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' B' ' 14' ' ' ALA . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 25.0 106.318 177.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 25.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 25.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 25.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 25.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 25.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 25.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 25.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 25.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 25.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 25.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 25.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 25.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 25.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 25.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 25.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 25.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 25.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 25.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 25.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 25.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 25.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 25.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 25.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 25.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 25.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 25.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 25.0 104.62 177.291 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 25.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 25.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 25.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 25.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 25.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 25.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 25.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 25.0 111.285 -178.279 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 25.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 25.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 25.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 25.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 25.0 105.931 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 25.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 25.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 25.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 25.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 25.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 25.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 25.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 25.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' B' ' 23' ' ' GLY . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 25.0 114.073 -167.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 25.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 25.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 25.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 25.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 25.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 25.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 25.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 25.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 25.0 112.829 171.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 20' ' ' CYS . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 -175.279 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.103 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.69 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -62.11 -35.38 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.953 1.377 . . . . 25.0 112.671 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 25.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 25.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 25.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' B' ' 14' ' ' ALA . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 25.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 25.0 112.246 -177.299 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 25.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 25.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 25.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 3.6 m-20 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 25.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 25.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 25.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 25.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 25.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' LEU . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 25.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 25.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 25.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -130.87 122.06 26.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -70.28 155.68 93.06 Favored Pre-proline 0 C--N 1.349 0.573 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.258 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.07 110.29 2.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 116.164 -2.091 . . . . 25.0 112.279 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 115.33 -2.271 . . . . 25.0 105.101 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.39 -1.228 . . . . 25.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt -111.58 -39.61 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.142 0.971 . . . . 25.0 110.785 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 25.0 116.336 -171.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 25.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 25.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 25.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.716 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 25.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 25.0 112.03 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 25.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 25.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 25.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 25.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 25.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 25.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 25.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -140.22 102.44 4.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -70.0 165.07 46.45 Favored Pre-proline 0 C--N 1.349 0.557 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.85 82.75 1.46 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 116.397 -1.936 . . . . 25.0 112.769 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.478 -1.725 . . . . 25.0 107.167 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -61.19 -33.0 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 25.0 110.203 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 25.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 25.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 25.0 108.831 174.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 25.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 25.0 113.261 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 25.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 25.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 25.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 25.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 25.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 25.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 25.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 25.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 25.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 25.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 25.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 25.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -140.32 124.49 17.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.1 p -63.69 158.01 62.83 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.0 130.05 24.78 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 113.31 -3.993 . . . . 25.0 114.504 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.36 1.028 0 CA-C-O 117.129 -1.415 . . . . 25.0 109.511 -178.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.25 -30.32 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 25.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 25.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 25.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 25.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.081 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 25.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 25.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 25.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 25.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 25.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 25.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 25.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 25.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 25.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 16' ' ' LEU . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 25.0 111.155 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 25.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 25.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.04 74.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -72.7 156.08 90.33 Favored Pre-proline 0 C--N 1.352 0.717 0 N-CA-C 104.127 -2.546 . . . . 25.0 104.127 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.14 107.36 1.53 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 115.725 -2.383 . . . . 25.0 114.171 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.249 1.078 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -178.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 110.115 -1.194 . . . . 25.0 110.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.24 -34.82 65.93 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.824 0 CA-C-N 117.649 0.725 . . . . 25.0 112.455 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 25.0 113.361 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 25.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 25.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 25.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 25.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 25.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 25.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 25.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 25.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 25.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 25.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 25.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 25.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -137.73 97.83 3.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.0 p 73.08 155.32 0.16 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 130.065 3.346 . . . . 25.0 106.771 -170.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.47 102.37 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 N-CA-C 116.359 1.638 . . . . 25.0 116.359 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.497 -1.084 0 C-N-CA 126.563 1.945 . . . . 25.0 105.761 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.65 -1.639 . . . . 25.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -135.74 -36.07 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 119.063 1.432 . . . . 25.0 112.593 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 25.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 25.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 25.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 25.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 25.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 25.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 25.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 25.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 25.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 25.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 25.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.462 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 25.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 25.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 25.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 25.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 25.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 47.64 96.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.1 p -67.41 160.5 71.55 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 171.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.39 138.63 66.78 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 116.032 -2.179 . . . . 25.0 112.341 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 -177.154 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.166 0 CA-C-O 118.112 -1.382 . . . . 25.0 111.678 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.05 -33.83 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 119.532 1.666 . . . . 25.0 114.243 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 25.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 25.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 25.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 25.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 25.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 25.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 25.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 25.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 25.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 25.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 25.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 25.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 25.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 25.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 25.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 25.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 25.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 25.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 49.32 65.1 1.49 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.3 p 74.44 165.91 0.13 Allowed Pre-proline 0 N--CA 1.489 1.511 0 C-N-CA 129.165 2.986 . . . . 25.0 108.682 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.82 127.81 22.57 Favored 'Trans proline' 0 C--O 1.216 -0.587 0 C-N-CA 116.79 -1.674 . . . . 25.0 113.163 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.255 1.352 0 N-CA-C 104.493 -2.41 . . . . 25.0 104.493 174.205 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.486 0 CA-C-O 116.907 -2.052 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -149.25 -26.73 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 119.081 1.441 . . . . 25.0 112.242 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 25.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 25.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 25.0 111.269 -179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.312 -172.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 25.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 25.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 25.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 25.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 25.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 25.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 25.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 25.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 25.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 25.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -136.59 125.34 23.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.44 144.36 95.46 Favored Pre-proline 0 C--N 1.362 1.139 0 N-CA-C 104.223 -2.51 . . . . 25.0 104.223 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -57.2 143.21 94.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 O-C-N 122.679 0.831 . . . . 25.0 114.124 -176.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 103.191 -2.892 . . . . 25.0 103.191 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 119.157 -0.802 . . . . 25.0 111.401 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt -137.32 -32.45 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 117.385 0.593 . . . . 25.0 111.86 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 25.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 25.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 25.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 25.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 25.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 25.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 25.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 25.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 25.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 25.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 25.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 25.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 25.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 25.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 25.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 25.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 57.9 94.93 0.03 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -68.13 161.8 65.34 Favored Pre-proline 0 C--N 1.36 1.045 0 N-CA-C 104.603 -2.369 . . . . 25.0 104.603 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -65.29 145.88 84.75 Favored 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 114.961 -2.893 . . . . 25.0 116.909 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.121 -1.807 . . . . 25.0 106.121 -179.497 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.496 0 CA-C-O 119.735 -0.481 . . . . 25.0 113.036 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -60.27 -35.04 59.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 CA-C-N 118.528 1.164 . . . . 25.0 113.297 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 25.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 25.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 25.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 25.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 25.0 111.503 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 25.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 25.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 25.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 25.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 25.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 25.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 25.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 25.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 25.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 25.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 25.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 25.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 25.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -143.53 101.34 3.76 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.4 p 70.85 158.67 0.16 Allowed Pre-proline 0 N--CA 1.498 1.959 0 C-N-CA 129.047 2.939 . . . . 25.0 107.127 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.1 140.39 41.31 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 116.805 -1.663 . . . . 25.0 114.405 -174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.257 1.449 0 O-C-N 126.459 2.35 . . . . 25.0 111.007 -174.595 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 116.507 -2.274 . . . . 25.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -133.09 -27.35 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 120.063 1.931 . . . . 25.0 111.63 -174.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 25.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 25.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 25.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 25.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 25.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 25.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 25.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 25.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 25.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 25.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 25.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 25.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 25.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 25.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 25.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 25.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 25.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 25.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 25.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 25.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -85.12 91.76 8.2 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p 80.03 159.62 0.13 Allowed Pre-proline 0 C--N 1.384 2.091 0 C-N-CA 131.32 3.848 . . . . 25.0 108.008 -171.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.72 78.33 3.73 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 114.48 -3.213 . . . . 25.0 115.013 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.392 2.435 0 C-N-CA 129.289 3.036 . . . . 25.0 106.797 -173.901 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 CA-C-O 118.346 -1.252 . . . . 25.0 111.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -72.79 -30.61 33.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 118.447 1.123 . . . . 25.0 112.853 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 25.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 25.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 25.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 25.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 25.0 110.656 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 25.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 25.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 25.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 25.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 25.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 25.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 25.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 25.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -136.89 117.35 13.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 35.9 p -69.18 155.31 93.81 Favored Pre-proline 0 C--N 1.35 0.616 0 CA-C-N 114.273 -1.331 . . . . 25.0 108.103 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.8 90.08 0.96 Allowed 'Trans proline' 0 C--O 1.244 0.797 0 C-N-CA 116.987 -1.542 . . . . 25.0 113.393 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.352 0.697 0 N-CA-C 106.348 -1.723 . . . . 25.0 106.348 -177.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 117.62 -1.656 . . . . 25.0 109.821 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.35 -34.98 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 25.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 25.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 25.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 25.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 25.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 25.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 25.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 25.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 25.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 25.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 25.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 25.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 25.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 25.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -126.17 106.91 9.89 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -68.99 158.91 85.12 Favored Pre-proline 0 CA--C 1.511 -0.547 0 O-C-N 124.645 1.216 . . . . 25.0 110.664 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.47 107.34 1.97 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 116.601 -1.799 . . . . 25.0 114.095 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 51.8 p . . . . . 0 C--O 1.254 1.304 0 CA-C-N 112.79 -2.004 . . . . 25.0 110.479 -177.308 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.797 0 CA-C-O 119.059 -0.856 . . . . 25.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.95 -23.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 122.928 0.491 . . . . 25.0 110.958 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 25.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 25.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 25.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HB3' HD23 ' B' ' 6' ' ' LEU . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 25.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 25.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 25.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 25.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 25.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 25.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 25.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 25.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 25.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 25.0 111.913 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 25.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 25.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 25.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 25.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 25.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 25.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 25.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 25.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 19.82 84.61 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 148.01 162.22 0.0 OUTLIER Pre-proline 0 C--N 1.377 1.768 1 C-N-CA 134.561 5.145 . . . . 25.0 101.813 175.046 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.51 128.35 16.12 Favored 'Trans proline' 0 C--N 1.36 1.163 1 C-N-CA 111.463 -5.225 . . . . 25.0 111.279 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.399 2.742 0 CA-C-O 116.735 -1.602 . . . . 25.0 114.016 -169.884 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.638 0 CA-C-O 118.358 -1.246 . . . . 25.0 110.609 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -62.41 -34.55 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.21 1.005 . . . . 25.0 109.858 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 25.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 25.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 25.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 25.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 25.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 25.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 25.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 25.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 25.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 25.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 25.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 25.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 25.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 25.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 25.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 25.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 25.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 25.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 25.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 25.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -143.75 78.23 1.58 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 p 71.31 158.26 0.16 Allowed Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 129.281 3.032 . . . . 25.0 109.316 -172.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.11 142.49 98.47 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 116.288 -2.008 . . . . 25.0 114.25 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.26 1.655 0 C-N-CA 125.49 1.516 . . . . 25.0 107.915 -178.825 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.331 0 N-CA-C 110.805 -0.918 . . . . 25.0 110.805 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.9 -27.63 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 25.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 25.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 25.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 25.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 25.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 25.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 25.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 25.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 25.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 25.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 25.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 25.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 25.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 25.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 25.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 25.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 25.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -135.46 104.56 5.88 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p -64.44 154.95 82.51 Favored Pre-proline 0 C--O 1.196 -1.733 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 175.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.85 136.07 74.31 Favored 'Trans proline' 0 C--O 1.241 0.638 0 C-N-CA 116.18 -2.08 . . . . 25.0 112.387 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 125.252 1.421 . . . . 25.0 110.69 -170.837 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.66 0 CA-C-O 117.493 -1.726 . . . . 25.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -61.33 -32.47 53.23 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 -169.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 25.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 25.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 25.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 25.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 25.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 25.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 25.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 25.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 25.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 25.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 25.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 25.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 25.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 25.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 25.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 25.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 25.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 25.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 25.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 25.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 25.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -100.61 -62.96 1.18 Allowed 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -69.07 160.25 79.35 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-N 113.573 -1.649 . . . . 25.0 109.665 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.39 116.05 4.45 Favored 'Trans proline' 0 C--O 1.2 -1.391 0 C-N-CA 114.09 -3.474 . . . . 25.0 111.779 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.376 1.721 0 CA-C-N 113.38 -1.737 . . . . 25.0 108.339 178.81 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 117.854 -1.525 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.94 -30.47 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 117.836 0.818 . . . . 25.0 110.351 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 25.0 108.451 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 25.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 25.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 25.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 25.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 25.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 HG21 ' B' ' 18' ' ' VAL . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 25.0 109.38 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 25.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 25.0 111.749 171.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 25.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 25.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 25.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 25.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 25.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 16' ' ' LEU . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.477 HG21 HD13 ' A' ' 16' ' ' LEU . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 25.0 109.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 25.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 25.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 25.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.85 105.44 10.02 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.76 159.91 82.05 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 102.91 -2.996 . . . . 25.0 102.91 168.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.05 111.52 2.89 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 114.991 -2.872 . . . . 25.0 111.341 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.367 1.354 0 N-CA-C 106.238 -1.764 . . . . 25.0 106.238 -177.829 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.54 5.567 0 CA-C-O 122.261 0.923 . . . . 25.0 111.969 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.11 -31.22 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 120.804 -1.409 . . . . 25.0 110.45 -177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 25.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 25.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 25.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 25.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 25.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 25.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 25.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 25.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 25.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 25.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 25.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 25.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 25.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 25.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 25.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 25.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 25.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 25.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 25.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 25.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 25.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 25.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 25.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 25.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 25.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 25.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -135.28 113.32 11.17 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -64.32 160.03 53.54 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.792 1.237 . . . . 25.0 108.801 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.18 80.01 3.0 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 CA-C-O 122.52 0.967 . . . . 25.0 113.725 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 114.747 -2.549 . . . . 25.0 108.884 179.481 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.186 -2.885 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.17 -42.38 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 25.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 25.0 116.059 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 25.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 25.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 25.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 25.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 25.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 25.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 25.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 25.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 25.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 25.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 25.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 25.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 25.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 25.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 25.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 25.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 25.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 25.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 53.68 95.3 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 36.9 p -65.45 149.22 97.43 Favored Pre-proline 0 CA--C 1.556 1.204 0 O-C-N 119.229 -2.169 . . . . 25.0 108.333 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.1 136.68 66.62 Favored 'Trans proline' 0 C--O 1.266 1.894 0 N-CA-C 118.256 2.368 . . . . 25.0 118.256 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.376 1.734 0 CA-C-O 116.065 -1.922 . . . . 25.0 105.977 -178.23 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 117.545 -1.697 . . . . 25.0 112.797 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -142.87 -37.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-N 118.789 1.295 . . . . 25.0 113.537 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 25.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 25.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 25.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 25.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 25.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 25.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 25.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 25.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 25.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 25.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 25.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 25.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 25.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 25.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 25.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 25.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 25.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 25.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 25.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 48.87 92.25 0.02 OUTLIER 'General case' 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -78.42 167.09 38.21 Favored Pre-proline 0 C--N 1.386 2.185 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 174.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -70.57 142.58 44.7 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 115.965 -2.223 . . . . 25.0 113.116 177.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.892 2.077 . . . . 25.0 109.013 -176.884 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.76 0 CA-C-O 117.939 -1.478 . . . . 25.0 113.167 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -111.02 -33.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 25.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 25.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 25.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 25.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 25.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 25.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 25.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 25.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 25.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 25.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 25.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 25.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 25.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' B' ' 26' ' ' NVA . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.03 178.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 25.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 25.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 25.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 25.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 25.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 25.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -129.14 113.96 15.73 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' NVA . . . . . 0.435 ' HD3' HG11 ' B' ' 12' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -61.17 149.25 82.97 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 176.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.71 95.92 0.49 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 N-CA-C 118.008 2.272 . . . . 25.0 118.008 -173.192 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.609 0 CA-C-N 113.553 -1.658 . . . . 25.0 110.584 -176.863 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.197 -2.197 0 CA-C-O 118.501 -1.166 . . . . 25.0 111.842 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -139.95 -31.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 25.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 25.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 25.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 25.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 25.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 25.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 25.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 25.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.646 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 25.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 25.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 25.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 25.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 25.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 25.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 25.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 25.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 25.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 25.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 25.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -103.63 118.96 37.93 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -68.17 154.15 94.41 Favored Pre-proline 0 N--CA 1.491 1.586 0 N-CA-C 102.886 -3.005 . . . . 25.0 102.886 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.96 139.87 69.89 Favored 'Trans proline' 0 C--O 1.199 -1.451 0 O-C-N 122.606 0.793 . . . . 25.0 113.571 -173.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 114.844 -2.503 . . . . 25.0 109.483 -174.755 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.055 0 CA-C-O 115.824 -2.653 . . . . 25.0 110.832 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.88 -21.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.437 0 CA-C-N 120.899 2.35 . . . . 25.0 113.839 178.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 25.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 25.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 25.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 25.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 25.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 25.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 25.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 25.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 25.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 25.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 25.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 25.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 25.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 25.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 25.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 25.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 25.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 25.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 25.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 25.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 25.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 25.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 25.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -88.51 -59.85 2.12 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -61.01 152.0 72.52 Favored Pre-proline 0 N--CA 1.488 1.431 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.47 140.32 68.88 Favored 'Trans proline' 0 C--N 1.361 1.205 1 C-N-CA 112.642 -4.438 . . . . 25.0 114.598 -171.194 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.367 1.364 0 N-CA-C 104.971 -2.233 . . . . 25.0 104.971 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 117.039 -1.978 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -137.88 -36.87 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.657 0 CA-C-N 118.415 1.107 . . . . 25.0 112.366 -179.102 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 25.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 25.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 25.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 25.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.593 HD13 HG21 ' B' ' 18' ' ' VAL . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.279 173.602 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 25.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 25.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 25.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 25.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 25.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 25.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 25.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 25.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 25.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 25.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 24' ' ' PHE . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 25.0 111.39 178.19 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 16' ' ' LEU . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -174.578 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 25.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 25.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 25.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.479 ' HB3' HD12 ' B' ' 15' ' ' LEU . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 25.0 112.022 176.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.79 106.11 4.4 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' B' ' 28' ' ' PRO . 43.7 p 65.04 162.55 0.12 Allowed Pre-proline 0 C--N 1.381 1.937 0 C-N-CA 127.603 2.361 . . . . 25.0 112.181 -178.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' B' ' 27' ' ' THR . 88.9 Cg_endo -78.82 97.91 1.16 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 115.232 -2.712 . . . . 25.0 116.244 -172.072 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.253 1.243 0 O-C-N 125.736 1.897 . . . . 25.0 108.256 179.119 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.362 0 CA-C-O 119.271 -0.738 . . . . 25.0 111.953 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -95.13 -42.13 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -177.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 25.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 25.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 25.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 25.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 25.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 25.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 25.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 25.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 25.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 25.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 25.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 25.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 25.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 25.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 25.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 25.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 51.78 91.78 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 171.73 168.39 0.22 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 130.531 3.532 . . . . 25.0 102.076 -179.456 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.12 113.98 3.92 Favored 'Trans proline' 0 C--N 1.368 1.593 0 C-N-CA 114.003 -3.532 . . . . 25.0 111.593 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.261 1.702 0 C-N-CA 127.913 2.485 . . . . 25.0 107.512 -179.27 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 115.344 -2.92 . . . . 25.0 109.746 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.34 -38.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.44 2.62 . . . . 25.0 112.905 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 25.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 25.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 25.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 25.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 25.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 25.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 25.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 25.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 25.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 25.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 25.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 25.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 25.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 25.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 25.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 25.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 25.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 25.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 25.0 112.753 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 25.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 25.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -112.49 136.82 51.54 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -63.91 140.66 97.9 Favored Pre-proline 0 N--CA 1.427 -1.595 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -71.17 108.57 2.37 Favored 'Trans proline' 0 CA--C 1.5 -1.211 0 N-CA-C 117.108 1.926 . . . . 25.0 117.108 -163.319 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.354 0.796 0 CA-C-N 112.776 -2.011 . . . . 25.0 108.959 175.513 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.394 0 CA-C-O 117.419 -1.767 . . . . 25.0 112.552 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt -136.95 -44.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-N 119.274 1.537 . . . . 25.0 114.286 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 25.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 25.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 25.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 25.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 25.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' B' ' 14' ' ' ALA . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 25.0 106.318 177.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 25.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 25.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 25.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 25.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 25.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 25.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 25.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 25.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 25.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 25.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 25.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 25.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 25.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 25.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 25.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 25.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -100.4 -70.02 0.75 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -73.06 159.14 85.94 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 126.204 1.801 . . . . 25.0 109.691 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -69.47 102.63 1.0 Allowed 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 115.954 -2.231 . . . . 25.0 114.098 178.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.886 0 N-CA-C 102.32 -3.215 . . . . 25.0 102.32 -173.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.426 -1.763 . . . . 25.0 111.37 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -68.77 -28.73 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 25.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 25.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 25.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 25.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 25.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 25.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 25.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 25.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 25.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 25.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 p30 . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 25.0 104.62 177.291 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 25.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 25.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 25.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 25.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 25.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 25.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 25.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 25.0 111.285 -178.279 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 25.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 25.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 25.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 25.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 25.0 105.931 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -135.56 137.46 42.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 161.95 76.69 Favored Pre-proline 0 C--N 1.367 1.351 0 C-N-CA 125.509 1.524 . . . . 25.0 107.856 178.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.51 128.13 17.66 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 114.396 -3.269 . . . . 25.0 113.625 -175.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 C--N 1.41 3.236 0 CA-C-O 115.495 -2.193 . . . . 25.0 106.906 179.719 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.519 4.167 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.61 -36.32 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 -178.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 25.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 25.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 25.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 25.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 25.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 25.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 25.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 25.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' B' ' 23' ' ' GLY . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 25.0 114.073 -167.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 25.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 25.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 25.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 25.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 25.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 25.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 25.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 25.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 25.0 112.829 171.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 20' ' ' CYS . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 -175.279 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.07 102.97 6.96 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -71.88 166.92 35.8 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 113.422 -1.717 . . . . 25.0 109.7 -178.526 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.73 115.03 4.19 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 113.527 -3.848 . . . . 25.0 111.787 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.415 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 25.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 25.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 25.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' B' ' 14' ' ' ALA . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 25.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 25.0 112.246 -177.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 25.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 25.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 25.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 1.1 m-80 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 25.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 25.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 25.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 25.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 25.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' LEU . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 25.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 25.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 25.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.903 0.382 . . . . 25.0 110.785 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 25.0 116.336 -171.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 25.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 25.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 25.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.716 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 25.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 25.0 112.03 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 25.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 25.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 25.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 25.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 25.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 25.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 25.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 25.0 110.203 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 25.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 25.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 25.0 108.831 174.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 25.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 25.0 113.261 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 25.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 25.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 25.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 25.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 25.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 25.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 25.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 25.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 25.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 25.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 25.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 25.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 25.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 25.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 25.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 25.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.081 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 25.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 25.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 25.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 25.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 25.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 25.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 25.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 25.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 25.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 16' ' ' LEU . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 25.0 111.155 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 25.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 25.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt . . . . . 0 C--O 1.194 -1.824 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 25.0 113.361 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 25.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 25.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 25.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 25.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 25.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 25.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 25.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 25.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 25.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 25.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 25.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 25.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 25.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 25.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 25.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 25.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 25.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 25.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 25.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 25.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 25.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 25.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 25.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.462 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 25.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 25.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 25.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 25.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 25.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 25.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 25.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 25.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 25.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 25.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 25.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 25.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 25.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 25.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 25.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 25.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 25.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 25.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 25.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 25.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 25.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 25.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 25.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 112.242 0.46 . . . . 25.0 112.242 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 25.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 25.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 25.0 111.269 -179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.312 -172.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 25.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 25.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 25.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 25.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 25.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 25.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 25.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 25.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 25.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 25.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 111.86 0.318 . . . . 25.0 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 25.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 25.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 25.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 25.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 25.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 25.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 25.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 25.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 25.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 25.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 25.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 25.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 25.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 25.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 25.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 25.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.256 1.407 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 25.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 25.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 25.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 25.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 25.0 111.503 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 25.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 25.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 25.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 25.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 25.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 25.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 25.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 25.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 25.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 25.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 25.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 25.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 25.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 . . . . . 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 C--O 1.211 -0.957 0 CA-C-O 119.581 -0.247 . . . . 25.0 111.63 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 25.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 25.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 25.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 25.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 25.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 25.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 25.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 25.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 25.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 25.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 25.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 25.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 25.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 25.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 25.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 25.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 25.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 25.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 25.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 25.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.243 0.742 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 25.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 25.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 25.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 25.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 25.0 110.656 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 25.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 25.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 25.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 25.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 25.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 25.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 25.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 25.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 . . . . . 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 25.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 25.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 25.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 25.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 25.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 25.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 25.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 25.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 25.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 25.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 25.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 25.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 25.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 25.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 120.161 0.029 . . . . 25.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 25.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 25.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 25.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HB3' HD23 ' B' ' 6' ' ' LEU . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 25.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 25.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 25.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 25.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 25.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 25.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 25.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 25.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 25.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 25.0 111.913 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 25.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 25.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 25.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 25.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 25.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 25.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 25.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 25.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 25.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 25.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 25.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 25.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 25.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 25.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 25.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 25.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 25.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 25.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 25.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 25.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 25.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 25.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 25.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 25.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 25.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 25.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 25.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 25.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 25.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 25.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 25.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 25.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 25.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 25.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 25.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 25.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 25.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 25.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 25.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 25.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 25.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 25.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 25.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 25.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 25.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 25.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 25.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 25.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 25.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 25.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 25.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 25.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 25.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 25.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 25.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 25.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 25.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 25.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 25.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 25.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 25.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 25.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 25.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 25.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 25.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 25.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.44 -0.928 0 CA-C-O 121.643 0.735 . . . . 25.0 110.351 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 25.0 108.451 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 25.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 25.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 25.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 25.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 25.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 HG21 ' B' ' 18' ' ' VAL . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 25.0 109.38 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 25.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 25.0 111.749 171.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 25.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 25.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 25.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 25.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 25.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 16' ' ' LEU . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.477 HG21 HD13 ' A' ' 16' ' ' LEU . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 25.0 109.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 25.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 25.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 25.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 118.38 -0.819 . . . . 25.0 110.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 25.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 25.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 25.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 25.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 25.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 25.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 25.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 25.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 25.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 25.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 25.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 25.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 25.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 25.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 25.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 25.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 25.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 25.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 25.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 25.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 25.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 25.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 25.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 25.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 25.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 25.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 25.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 25.0 116.059 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 25.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 25.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 25.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 25.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 25.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 25.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 25.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 25.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 25.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 25.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 25.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 25.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 25.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 25.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 25.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 25.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 25.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 25.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 113.537 0.94 . . . . 25.0 113.537 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 25.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 25.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 25.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 25.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 25.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 25.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 25.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 25.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 25.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 25.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 25.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 25.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 25.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 25.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 25.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 25.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 25.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 25.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 25.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 25.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 25.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 25.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 25.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 25.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 25.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 25.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 25.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 25.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 25.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 25.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 25.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 25.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.03 178.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 25.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 25.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 25.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 25.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 25.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 25.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 25.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 25.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 25.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 25.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 25.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 25.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 25.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 25.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.646 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 25.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 25.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 25.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 25.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 25.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 25.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 25.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 25.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 25.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 25.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 25.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 CA--C 1.562 1.437 0 N-CA-C 113.839 1.052 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 25.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 25.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 25.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 25.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 25.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 25.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 25.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 25.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 25.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 25.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 25.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 25.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 25.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 25.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 25.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 25.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 25.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 25.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 25.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 25.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 25.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 25.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 25.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 N--CA 1.512 2.657 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 25.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 25.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 25.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 25.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.593 HD13 HG21 ' B' ' 18' ' ' VAL . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.279 173.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 25.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 25.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 25.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 25.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 25.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 25.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 25.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 25.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 25.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 25.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 24' ' ' PHE . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 25.0 111.39 178.19 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 16' ' ' LEU . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -174.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 25.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 25.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 25.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.479 ' HB3' HD12 ' B' ' 15' ' ' LEU . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 25.0 112.022 176.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 25.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 25.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 25.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 25.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 25.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 25.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 25.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 25.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 25.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 25.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 25.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 25.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 25.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 25.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 25.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 25.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 112.905 0.706 . . . . 25.0 112.905 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 25.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 25.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 25.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 25.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 25.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 25.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 25.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 25.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 25.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 25.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 25.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 25.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 25.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 25.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 25.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 25.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 25.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 25.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 25.0 112.753 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 25.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 25.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 CA--C 1.572 1.794 0 N-CA-C 114.286 1.217 . . . . 25.0 114.286 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 25.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 25.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 25.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 25.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 25.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' B' ' 14' ' ' ALA . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 25.0 106.318 177.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 25.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 25.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 25.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 25.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 25.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 25.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 25.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 25.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 25.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 25.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 25.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 25.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 25.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 25.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 25.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 25.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 . . . . . 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 25.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 25.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 25.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 25.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 25.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 25.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 25.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 25.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 25.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 25.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 25.0 104.62 177.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 25.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 25.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 25.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 25.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 25.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 25.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 25.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 25.0 111.285 -178.279 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 25.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 25.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 25.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 25.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 25.0 105.931 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 25.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 25.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 25.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 25.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 25.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 25.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 25.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 25.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' B' ' 23' ' ' GLY . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 25.0 114.073 -167.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 25.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 25.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 25.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 25.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 25.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 25.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 25.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 25.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 25.0 112.829 171.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 20' ' ' CYS . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 -175.279 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.103 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.69 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -62.11 -35.38 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 118.953 1.377 . . . . 25.0 112.671 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.288 0.566 . . . . 25.0 109.858 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.91 -42.25 98.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 25.0 110.855 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.9 -38.44 73.01 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.142 -0.481 . . . . 25.0 112.211 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.57 -32.33 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.228 0.537 . . . . 25.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -62.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.243 0.544 . . . . 25.0 111.742 177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.55 35.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -161.15 177.01 10.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.968 0.413 . . . . 25.0 110.103 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.3 mm -86.05 92.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 104.186 -2.524 . . . . 25.0 104.186 170.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.4 t -62.78 124.88 22.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.064 -0.517 . . . . 25.0 110.075 -174.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -72.75 155.5 39.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.808 0.337 . . . . 25.0 110.317 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.42 -40.8 71.92 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 40.6 p90 -76.92 -29.39 55.66 Favored 'General case' 0 C--O 1.214 -0.763 0 C-N-CA 120.254 -0.578 . . . . 25.0 112.009 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -67.61 -35.55 79.16 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD11 ' HB1' ' B' ' 14' ' ' ALA . 2.4 tt -69.14 -52.18 30.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.911 -1.04 . . . . 25.0 110.746 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -70.25 -16.22 63.01 Favored 'General case' 0 C--O 1.22 -0.465 0 O-C-N 121.39 -0.819 . . . . 25.0 112.246 -177.299 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -20.82 58.63 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.979 -0.451 . . . . 25.0 111.758 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -77.86 -20.72 52.52 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.797 -0.564 . . . . 25.0 112.062 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.95 132.02 47.62 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.075 0.464 . . . . 25.0 111.654 -172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 1.1 m-80 . . . . . 0 C--O 1.246 0.883 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 110.148 -0.316 . . . . 25.0 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.2 -164.0 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.948 0.899 . . . . 25.0 109.294 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -122.42 -150.51 0.45 Allowed 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 107.099 -1.445 . . . . 25.0 107.099 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 68.05 169.13 0.27 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.229 1.012 . . . . 25.0 112.139 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.75 146.66 53.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.753 -1.943 . . . . 25.0 105.753 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.6 mt -104.92 -3.12 23.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.92 114.88 3.04 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.542 -0.463 . . . . 25.0 111.254 -176.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.39 -154.36 17.31 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 109.89 -1.284 . . . . 25.0 109.89 -175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -60.2 -28.11 67.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.122 0.461 . . . . 25.0 112.047 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -56.86 -31.65 65.02 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 112.364 0.505 . . . . 25.0 112.364 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.96 -39.42 83.37 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 118.58 0.627 . . . . 25.0 110.667 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.72 -42.78 83.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.395 -0.965 . . . . 25.0 108.395 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.96 -37.56 86.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 25.0 110.472 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.66 -49.94 74.49 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.368 -0.604 . . . . 25.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -63.19 -38.95 93.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.733 -0.212 . . . . 25.0 110.629 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.71 -40.1 94.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.836 0.351 . . . . 25.0 111.877 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.2 -25.29 51.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' LEU . 68.0 t -99.79 -47.17 12.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -85.45 -37.42 19.78 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.719 0.69 . . . . 25.0 110.675 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.96 -154.8 19.59 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.58 -0.608 . . . . 25.0 111.58 -176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.58 -3.48 15.08 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.269 0.84 . . . . 25.0 113.269 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -135.25 146.35 48.49 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 104.644 -2.354 . . . . 25.0 104.644 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . 142.69 -33.94 1.83 Allowed Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.458 -0.877 . . . . 25.0 114.115 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -139.13 170.38 16.07 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -130.87 122.06 26.36 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -70.28 155.68 93.06 Favored Pre-proline 0 C--N 1.349 0.573 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.258 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.07 110.29 2.15 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 116.164 -2.091 . . . . 25.0 112.279 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 115.33 -2.271 . . . . 25.0 105.101 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.39 -1.228 . . . . 25.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.8 mt -111.58 -39.61 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.142 0.971 . . . . 25.0 110.785 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -54.82 3.16 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.662 0 N-CA-C 116.336 1.976 . . . . 25.0 116.336 -171.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.68 -43.34 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.638 0.654 . . . . 25.0 110.501 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -62.93 -37.34 86.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.59 -0.732 . . . . 25.0 111.809 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.77 -34.98 52.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.179 -0.464 . . . . 25.0 110.091 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -52.55 61.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.874 0.369 . . . . 25.0 111.558 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.0 p -77.7 28.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -158.79 179.06 9.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.819 0.818 . . . . 25.0 111.407 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -72.28 -27.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.239 -1.022 . . . . 25.0 108.239 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t 67.95 112.98 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.913 1.285 . . . . 25.0 112.374 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.0 m -69.45 156.76 38.33 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.515 -0.741 . . . . 25.0 110.209 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.208 -1.131 0 N-CA-C 112.489 0.551 . . . . 25.0 112.489 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -70.41 -27.3 64.18 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.79 -0.569 . . . . 25.0 112.529 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.07 -36.39 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.4 tt -67.42 -47.1 71.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.368 -0.833 . . . . 25.0 109.716 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -62.41 -30.93 71.57 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.185 -0.322 . . . . 25.0 110.893 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.65 -10.05 11.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -76.27 -29.0 57.27 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.564 -0.71 . . . . 25.0 112.03 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.0 p -112.19 176.35 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -166.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-N 114.75 -1.114 . . . . 25.0 109.327 -173.146 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 119.463 -0.303 . . . . 25.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 98.6 t -134.41 139.79 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.93 127.8 32.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.641 0.258 . . . . 25.0 111.027 -177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -162.11 151.1 15.46 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 105.665 -1.976 . . . . 25.0 105.665 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 120.26 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.9 -1.889 . . . . 25.0 105.9 174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 116.031 1.864 . . . . 25.0 116.031 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.94 118.02 6.18 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.699 -0.8 . . . . 25.0 111.481 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.65 -157.36 15.53 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 109.294 -1.522 . . . . 25.0 109.294 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -25.63 65.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -58.72 -27.69 65.13 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.82 -39.19 90.61 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.754 -0.378 . . . . 25.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.84 -41.62 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.39 -43.33 97.9 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.349 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.19 -47.76 83.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.61 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.84 -42.76 90.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -65.76 -41.59 91.91 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.3 mt -72.66 -24.25 61.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.809 -0.557 . . . . 25.0 112.436 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.2 t -101.6 -53.1 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.99 -7.51 53.83 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.023 0.829 . . . . 25.0 111.383 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.86 -156.31 24.43 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-O 121.475 0.486 . . . . 25.0 112.657 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -71.43 10.05 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 121.817 0.818 . . . . 25.0 111.874 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -144.56 162.68 35.98 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.73 -10.59 9.01 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.969 -0.56 . . . . 25.0 113.606 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -151.33 171.1 18.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -140.22 102.44 4.37 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -70.0 165.07 46.45 Favored Pre-proline 0 C--N 1.349 0.557 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -72.85 82.75 1.46 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 116.397 -1.936 . . . . 25.0 112.769 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.478 -1.725 . . . . 25.0 107.167 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -61.19 -33.0 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.0 -50.32 80.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.274 -0.891 . . . . 25.0 110.203 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.39 -37.52 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.069 0.461 . . . . 25.0 110.687 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.55 -47.5 85.3 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.604 -0.726 . . . . 25.0 111.836 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.89 -18.71 33.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 119.357 -0.937 . . . . 25.0 113.469 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -67.18 -53.6 28.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.028 0.918 . . . . 25.0 110.157 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -77.67 21.76 0.28 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.061 1.134 . . . . 25.0 114.061 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -154.4 -178.33 7.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.385 0.612 . . . . 25.0 111.91 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.6 mm -86.09 111.83 21.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 103.484 -2.784 . . . . 25.0 103.484 166.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 t -70.31 126.06 28.56 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.36 0.6 . . . . 25.0 111.021 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -69.44 154.39 42.08 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 115.934 -0.575 . . . . 25.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.21 -39.26 75.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -78.12 -25.96 47.68 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -75.82 -32.68 59.93 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.7 tt -65.85 -54.04 31.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.836 -1.074 . . . . 25.0 108.831 174.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -19.65 64.87 Favored 'General case' 0 C--O 1.197 -1.683 0 C-N-CA 119.401 -0.919 . . . . 25.0 112.717 -176.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -58.83 -16.14 15.75 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 114.72 1.378 . . . . 25.0 114.72 169.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -82.26 -10.0 59.28 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.63 -1.294 . . . . 25.0 113.261 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.97 158.92 17.15 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.036 -0.983 . . . . 25.0 109.667 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 t80 . . . . . 0 N--CA 1.506 2.366 0 CA-C-O 120.266 0.079 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.7 172.92 15.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 123.114 0.566 . . . . 25.0 109.539 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -84.36 -153.26 0.15 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.243 0.617 . . . . 25.0 109.921 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 78.51 166.91 0.21 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.187 1.795 . . . . 25.0 111.223 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -82.61 129.13 34.88 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.25 37.23 4.2 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.851 0.834 . . . . 25.0 112.091 -172.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 t -69.11 -10.86 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 114.817 1.414 . . . . 25.0 114.817 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.4 -156.01 31.89 Favored Glycine 0 C--O 1.24 0.501 0 C-N-CA 120.749 -0.739 . . . . 25.0 113.706 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -59.51 -16.95 27.99 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.789 -1.418 . . . . 25.0 113.57 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -60.53 -16.69 39.97 Favored 'General case' 0 C--O 1.214 -0.774 0 C-N-CA 122.77 0.428 . . . . 25.0 111.535 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.47 -39.13 91.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.404 0.621 . . . . 25.0 110.651 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.37 -40.87 89.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.727 -0.842 . . . . 25.0 108.727 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -66.38 -36.61 83.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.493 0.663 . . . . 25.0 109.345 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -60.24 -52.02 67.07 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.03 -40.7 94.61 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.153 -0.476 . . . . 25.0 110.987 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -59.28 -47.66 84.55 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.954 0.784 . . . . 25.0 110.316 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 81.3 mt -80.57 -25.07 38.78 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.6 t -91.65 -56.02 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.675 0.671 . . . . 25.0 111.606 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.78 1.94 40.49 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.002 0.906 . . . . 25.0 108.816 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.1 32.9 85.74 Favored Glycine 0 C--O 1.212 -1.251 0 CA-C-O 118.468 -1.184 . . . . 25.0 112.587 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 66.69 -24.23 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.836 1.255 . . . . 25.0 114.349 -173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -28.89 69.48 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.42 -8.36 83.42 Favored Glycine 0 C--N 1.309 -0.923 0 CA-C-O 116.4 -2.334 . . . . 25.0 115.45 -175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -150.9 169.65 21.22 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 120.332 2.066 . . . . 25.0 112.456 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -140.32 124.49 17.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.324 0.583 . . . . 25.0 111.28 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.1 p -63.69 158.01 62.83 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.0 130.05 24.78 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 113.31 -3.993 . . . . 25.0 114.504 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 C--N 1.36 1.028 0 CA-C-O 117.129 -1.415 . . . . 25.0 109.511 -178.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -58.25 -30.32 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 113.78 1.03 . . . . 25.0 113.78 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.13 -47.15 62.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.114 0.959 . . . . 25.0 109.033 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.12 -30.75 70.84 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -70.18 -39.07 75.47 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 120.685 0.278 . . . . 25.0 110.816 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.84 -36.98 85.01 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.3 m -72.78 -69.19 0.43 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.999 0.741 . . . . 25.0 112.999 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -70.56 11.01 0.4 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -171.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 m -160.66 -179.44 7.62 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.2 mm -71.4 118.3 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.86 -36.02 79.99 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m 65.41 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.04 1.496 . . . . 25.0 115.04 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 tp -50.8 -45.77 59.41 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 115.494 1.664 . . . . 25.0 115.494 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -79.01 -31.55 44.75 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.263 -0.898 . . . . 25.0 111.824 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.86 -29.92 66.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.3 tt -72.19 -47.52 50.05 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.081 176.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -17.01 63.73 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 120.731 -1.231 . . . . 25.0 111.333 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.47 -6.31 24.23 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 170.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -77.19 -23.47 51.48 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.201 0.455 . . . . 25.0 109.808 170.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.5 m -81.52 -168.39 1.86 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 121.102 0.477 . . . . 25.0 111.692 -174.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.82 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 37.4 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 119.089 -0.481 . . . . 25.0 110.698 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.26 31.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 79.1 m-20 66.23 -113.45 0.23 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.176 0.99 . . . . 25.0 112.627 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 64.76 176.22 0.19 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.085 0.954 . . . . 25.0 113.001 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -89.81 129.06 36.25 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 104.243 -2.503 . . . . 25.0 104.243 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -136.67 131.23 33.31 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 119.175 0.898 . . . . 25.0 111.001 -175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -148.92 165.43 31.59 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.07 -140.61 40.11 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 120.84 -0.695 . . . . 25.0 112.449 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -59.84 -30.07 68.7 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -62.08 -26.46 68.3 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.828 0.347 . . . . 25.0 111.874 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -69.58 -37.76 77.08 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.8 t -67.85 -41.43 84.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.91 -35.24 80.08 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 116.427 -0.351 . . . . 25.0 111.501 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.02 -47.44 84.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -43.85 94.62 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 116.072 -0.513 . . . . 25.0 110.458 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -64.75 -42.26 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.95 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.84 -37.73 79.35 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.605 HG21 HD13 ' A' ' 16' ' ' LEU . 96.6 t -83.41 -43.32 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.78 -0.575 . . . . 25.0 111.155 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 8.34 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.929 -0.482 . . . . 25.0 111.916 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.63 -47.41 1.79 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 117.365 1.706 . . . . 25.0 117.365 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.73 -26.5 0.96 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.217 1.192 . . . . 25.0 114.217 -172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -164.97 -98.92 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.01 4.02 88.75 Favored Glycine 0 C--O 1.224 -0.525 0 O-C-N 121.97 -0.456 . . . . 25.0 113.471 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -144.12 167.03 23.37 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.04 74.51 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 122.493 1.139 . . . . 25.0 108.494 175.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.5 p -72.7 156.08 90.33 Favored Pre-proline 0 C--N 1.352 0.717 0 N-CA-C 104.127 -2.546 . . . . 25.0 104.127 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.14 107.36 1.53 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 115.725 -2.383 . . . . 25.0 114.171 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.249 1.078 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -178.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 110.115 -1.194 . . . . 25.0 110.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.2 tt -62.24 -34.82 65.93 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.824 0 CA-C-N 117.649 0.725 . . . . 25.0 112.455 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.29 -54.49 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 N-CA-C 113.361 0.874 . . . . 25.0 113.361 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -68.25 -37.37 80.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.423 -0.798 . . . . 25.0 109.785 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -61.32 -43.65 98.52 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.81 -39.24 87.66 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 123.941 0.896 . . . . 25.0 111.481 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.85 -48.06 48.68 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -76.54 18.96 0.29 Allowed 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.671 1.36 . . . . 25.0 114.671 -174.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -159.63 173.97 15.3 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 122.744 0.417 . . . . 25.0 110.428 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mm -76.71 110.6 12.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 105.729 -1.952 . . . . 25.0 105.729 170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.5 t -78.18 135.58 37.66 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.454 -0.794 . . . . 25.0 109.571 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 p -86.56 167.96 14.12 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 112.664 0.616 . . . . 25.0 112.664 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.43 -42.51 98.86 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 120.529 -0.469 . . . . 25.0 111.788 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -74.44 -24.74 59.11 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 120.352 -0.539 . . . . 25.0 110.958 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -73.57 -33.66 64.76 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.09 -48.63 64.99 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 174.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.0 -33.82 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.215 0.531 . . . . 25.0 111.385 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.39 -17.41 7.88 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.102 1.519 . . . . 25.0 115.102 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -85.76 -26.01 26.07 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.0 173.76 7.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 . . . . . 0 C--O 1.256 1.412 0 CA-C-O 116.307 -1.806 . . . . 25.0 108.124 -177.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.3 t80 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.795 -0.622 . . . . 25.0 109.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.06 31.25 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.034 0 CA-C-O 121.573 0.702 . . . . 25.0 110.768 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.3 m120 62.47 -108.0 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.868 1.267 . . . . 25.0 113.893 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 63.99 173.54 0.18 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.939 0.896 . . . . 25.0 112.741 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.74 109.65 21.08 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.9 mt -130.85 146.65 52.34 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -154.02 -48.93 0.09 Allowed 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.277 0.561 . . . . 25.0 112.156 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.04 -128.23 2.84 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 120.434 -0.889 . . . . 25.0 112.393 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.0 p -54.11 -37.32 64.17 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 114.128 1.158 . . . . 25.0 114.128 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -62.94 -22.39 66.75 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.257 1.577 . . . . 25.0 115.257 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 13.9 tp -69.42 -33.14 72.55 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.698 0.761 . . . . 25.0 110.658 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.88 -41.35 89.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.77 -35.57 77.24 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.675 -0.641 . . . . 25.0 111.904 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -46.9 86.34 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.064 -1.088 . . . . 25.0 108.064 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.95 -40.73 97.09 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 122.513 0.325 . . . . 25.0 110.185 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -58.32 -46.08 86.84 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.51 -37.57 80.17 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.646 1.35 . . . . 25.0 114.646 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.8 t -85.16 -50.73 14.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 N-CA-C 112.356 0.502 . . . . 25.0 112.356 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.35 -7.44 59.58 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.06 39.63 94.81 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 109.406 -1.477 . . . . 25.0 109.406 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 66.21 -35.12 0.22 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.393 2.368 . . . . 25.0 117.393 -172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -69.6 66.15 0.21 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -174.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.03 -47.86 0.02 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -103.13 165.09 11.23 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.342 -0.505 . . . . 25.0 110.467 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -137.73 97.83 3.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.0 p 73.08 155.32 0.16 Allowed Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 130.065 3.346 . . . . 25.0 106.771 -170.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.47 102.37 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 N-CA-C 116.359 1.638 . . . . 25.0 116.359 -171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 CA--C 1.497 -1.084 0 C-N-CA 126.563 1.945 . . . . 25.0 105.761 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.65 -1.639 . . . . 25.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 tt -135.74 -36.07 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 119.063 1.432 . . . . 25.0 112.593 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.03 -43.44 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 121.766 -0.584 . . . . 25.0 111.102 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -57.57 -47.14 82.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.519 -0.31 . . . . 25.0 110.602 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.79 -38.87 89.71 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 120.695 0.283 . . . . 25.0 111.004 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -32.41 72.61 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.15 0.5 . . . . 25.0 111.77 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.6 -52.35 9.87 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 112.306 0.484 . . . . 25.0 112.306 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 p -70.28 10.63 0.42 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -163.54 -172.71 3.02 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.866 -0.606 . . . . 25.0 110.495 -175.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -69.41 123.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 105.129 -2.174 . . . . 25.0 105.129 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -23.24 36.33 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -173.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m 64.52 120.51 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.083 0 C-N-CA 125.304 1.442 . . . . 25.0 113.86 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.71 -42.09 71.09 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.431 0.9 . . . . 25.0 113.431 -175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -68.16 -37.82 81.44 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.539 -0.726 . . . . 25.0 111.475 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -67.67 -34.72 77.49 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.659 -0.651 . . . . 25.0 109.799 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.1 tt -65.8 -48.03 73.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.18 -1.045 . . . . 25.0 108.18 178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.01 -28.9 70.12 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 122.106 -0.371 . . . . 25.0 111.083 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -65.46 -5.04 6.69 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.368 1.247 . . . . 25.0 114.368 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -85.22 -10.97 55.97 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.726 -0.609 . . . . 25.0 111.237 173.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 176.64 4.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.234 0.54 . . . . 25.0 111.289 -173.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.131 -1.414 . . . . 25.0 109.391 -175.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' B' ' 3' ' ' ASN . 11.3 t80 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.817 -0.611 . . . . 25.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m -102.66 -0.52 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.806 1.039 . . . . 25.0 113.806 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.462 ' HA ' ' CE2' ' B' ' 1' ' ' PHE . 54.3 t30 53.1 72.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -128.78 -175.78 3.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.254 0.622 . . . . 25.0 110.42 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -70.12 136.44 50.18 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 mt -140.78 129.53 22.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.636 -0.876 . . . . 25.0 108.636 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.36 -61.85 0.1 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.368 0.604 . . . . 25.0 111.469 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.71 91.43 0.41 Allowed Glycine 0 C--O 1.21 -1.358 0 CA-C-N 116.207 -0.452 . . . . 25.0 113.01 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 t 60.53 0.92 0.36 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 117.691 2.478 . . . . 25.0 117.691 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.3 -16.96 22.04 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -67.91 -34.51 76.77 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.63 -44.89 99.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.632 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.46 -40.68 89.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.976 -0.29 . . . . 25.0 110.781 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -57.04 -48.01 79.54 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 120.848 -0.341 . . . . 25.0 110.137 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 47.4 mt -64.09 -40.57 96.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.761 0.315 . . . . 25.0 111.522 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -59.37 -41.72 89.93 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 122.886 0.474 . . . . 25.0 110.685 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.96 -38.42 45.29 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.9 t -83.32 -42.81 17.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.0 m -70.05 -29.63 66.69 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 120.228 -0.589 . . . . 25.0 109.776 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.59 111.07 0.64 Allowed Glycine 0 C--O 1.213 -1.184 0 CA-C-N 115.507 -0.769 . . . . 25.0 112.065 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 56.5 28.27 13.53 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 78.15 -175.29 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 126.344 1.858 . . . . 25.0 111.17 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.32 -25.35 1.86 Allowed Glycine 0 C--O 1.217 -0.966 0 CA-C-O 121.832 0.684 . . . . 25.0 111.586 -175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 45.2 p90 -73.84 -18.79 60.89 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 47.64 96.66 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.713 1.746 . . . . 25.0 115.713 -174.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 20.1 p -67.41 160.5 71.55 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 171.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.39 138.63 66.78 Favored 'Trans proline' 0 C--O 1.238 0.513 0 C-N-CA 116.032 -2.179 . . . . 25.0 112.341 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.246 0.881 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 -177.154 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.166 0 CA-C-O 118.112 -1.382 . . . . 25.0 111.678 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.05 -33.83 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 119.532 1.666 . . . . 25.0 114.243 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -66.57 -44.37 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.001 0.905 . . . . 25.0 108.981 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.29 -33.17 74.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.501 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -74.39 -31.82 62.49 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.435 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -34.15 75.96 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.344 -0.942 . . . . 25.0 109.493 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.2 m -71.36 -77.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.22 1.01 . . . . 25.0 112.499 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.81 19.15 0.15 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 114.426 1.269 . . . . 25.0 114.426 -171.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -166.23 -174.77 3.04 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.501 0.667 . . . . 25.0 110.901 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 mm -87.23 119.41 34.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 108.995 -0.743 . . . . 25.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.2 m -52.1 -47.5 65.21 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m 71.71 129.02 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.705 1.202 . . . . 25.0 112.159 -172.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -56.38 -40.51 74.72 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -169.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -35.6 78.86 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 118.939 0.79 . . . . 25.0 111.592 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -73.86 -27.08 60.89 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.639 -0.663 . . . . 25.0 110.484 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -44.67 73.43 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 121.693 0.759 . . . . 25.0 109.25 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -64.13 -30.82 71.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.578 . . . . 25.0 109.527 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -60.23 -16.94 38.07 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.413 1.634 . . . . 25.0 115.413 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -77.83 -24.86 48.55 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.797 -0.565 . . . . 25.0 111.428 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.9 m -77.36 157.01 30.86 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 120.953 0.406 . . . . 25.0 110.766 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--O 1.257 1.455 0 CA-C-O 115.931 -1.985 . . . . 25.0 106.96 -178.368 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 118.464 -0.779 . . . . 25.0 111.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.3 t 74.69 119.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 125.791 1.636 . . . . 25.0 110.832 -171.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -68.73 134.74 50.23 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -157.93 40.88 0.28 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 115.607 1.706 . . . . 25.0 115.607 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 m80 52.44 92.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.433 1.271 . . . . 25.0 114.433 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 mt -113.75 105.03 12.8 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 116.001 1.852 . . . . 25.0 116.001 -166.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.74 -14.66 4.53 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.39 -158.9 34.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.968 -0.853 . . . . 25.0 110.968 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 p -61.2 -21.32 63.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.985 0.514 . . . . 25.0 111.153 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -60.32 -25.12 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 25.0 112.272 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 tp -68.0 -40.43 83.03 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.24 -40.32 80.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.14 -34.54 77.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.728 -0.389 . . . . 25.0 111.912 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -50.33 72.33 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.593 -0.891 . . . . 25.0 108.593 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.89 -39.8 93.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.907 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -63.73 -45.15 91.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.588 -0.278 . . . . 25.0 111.701 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.51 -34.96 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.752 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 92.7 t -82.05 -38.39 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -86.89 -3.61 59.09 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.748 -0.595 . . . . 25.0 112.237 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.26 -43.82 3.28 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 115.543 0.977 . . . . 25.0 115.543 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -148.03 -45.64 0.16 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.288 0.477 . . . . 25.0 112.288 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -151.46 146.84 26.21 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 120.931 0.396 . . . . 25.0 111.666 -175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.87 46.45 0.04 OUTLIER Glycine 0 C--O 1.216 -1.004 0 N-CA-C 110.951 -0.86 . . . . 25.0 110.951 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -167.04 -42.45 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.287 -0.957 . . . . 25.0 111.689 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 49.32 65.1 1.49 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.533 1.146 . . . . 25.0 113.502 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.3 p 74.44 165.91 0.13 Allowed Pre-proline 0 N--CA 1.489 1.511 0 C-N-CA 129.165 2.986 . . . . 25.0 108.682 -173.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.82 127.81 22.57 Favored 'Trans proline' 0 C--O 1.216 -0.587 0 C-N-CA 116.79 -1.674 . . . . 25.0 113.163 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.255 1.352 0 N-CA-C 104.493 -2.41 . . . . 25.0 104.493 174.205 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.486 0 CA-C-O 116.907 -2.052 . . . . 25.0 110.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.0 tt -149.25 -26.73 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 119.081 1.441 . . . . 25.0 112.242 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -58.12 -47.48 86.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -46.36 89.94 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.083 -1.011 . . . . 25.0 111.694 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.26 -43.09 99.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.683 -0.69 . . . . 25.0 111.76 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.7 t -65.64 -41.99 91.96 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 121.217 0.532 . . . . 25.0 111.546 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -52.23 63.95 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.709 0.766 . . . . 25.0 109.892 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.2 p -78.61 29.0 0.2 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.152 1.538 . . . . 25.0 115.152 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -157.09 179.71 9.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 119.415 -0.914 . . . . 25.0 112.909 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 mm -79.25 90.78 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 104.843 -2.28 . . . . 25.0 104.843 166.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.9 127.37 32.89 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.949 0.881 . . . . 25.0 110.247 -173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -84.65 161.04 20.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.336 -1.302 . . . . 25.0 114.498 -171.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.08 -45.63 52.74 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 25.0 112.506 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -74.47 -30.05 61.69 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 112.324 0.491 . . . . 25.0 112.324 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.01 -36.4 82.07 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 107.218 -1.401 . . . . 25.0 107.218 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.57 -45.31 62.63 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 113.86 1.059 . . . . 25.0 113.86 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -63.9 -24.04 67.58 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 118.867 -1.133 . . . . 25.0 111.269 -179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.87 -16.12 63.55 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.105 1.15 . . . . 25.0 114.105 176.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -80.93 -24.05 38.46 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 174.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 7.6 m -72.76 164.79 26.01 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 120.068 -0.653 . . . . 25.0 111.312 -172.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.324 -0.846 . . . . 25.0 109.742 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.7 t80 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 m -122.58 130.32 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 106.072 -1.825 . . . . 25.0 106.072 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.58 123.76 19.65 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 121.531 -0.73 . . . . 25.0 110.985 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -149.1 175.5 11.29 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.45 126.55 32.35 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 104.893 -2.262 . . . . 25.0 104.893 171.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.58 12.74 18.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 117.805 2.521 . . . . 25.0 117.805 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -72.75 95.21 1.87 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.135 -1.026 . . . . 25.0 111.449 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.17 -159.96 28.15 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.055 -1.218 . . . . 25.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -55.86 -28.96 59.01 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 117.475 0.637 . . . . 25.0 112.47 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -58.26 -24.93 60.98 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.62 0.97 . . . . 25.0 113.62 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.11 -37.24 84.35 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.421 0.629 . . . . 25.0 112.09 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.58 -46.94 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.609 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.2 -37.92 86.75 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 122.046 0.927 . . . . 25.0 110.833 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.76 84.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.512 -0.767 . . . . 25.0 109.989 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -71.09 -31.08 67.36 Favored 'General case' 0 CA--C 1.512 -0.516 0 C-N-CA 120.165 -0.614 . . . . 25.0 111.806 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.37 -46.74 88.89 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 109.07 -0.715 . . . . 25.0 109.07 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.02 -39.88 72.09 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 114.68 1.363 . . . . 25.0 114.68 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -83.01 -45.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.782 -0.574 . . . . 25.0 111.841 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 76.4 m -77.38 -19.18 56.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.586 -0.846 . . . . 25.0 111.907 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.32 48.98 63.77 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 107.967 -2.053 . . . . 25.0 107.967 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 71.04 -49.2 0.68 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 126.594 1.958 . . . . 25.0 113.732 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -76.09 99.57 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 121.205 -0.934 . . . . 25.0 112.818 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.69 -4.35 1.05 Allowed Glycine 0 C--O 1.216 -1.006 0 N-CA-C 116.857 1.503 . . . . 25.0 116.857 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -150.77 173.77 13.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.891 0.846 . . . . 25.0 110.233 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -136.59 125.34 23.93 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.228 0.537 . . . . 25.0 109.68 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.44 144.36 95.46 Favored Pre-proline 0 C--N 1.362 1.139 0 N-CA-C 104.223 -2.51 . . . . 25.0 104.223 170.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -57.2 143.21 94.0 Favored 'Trans proline' 0 C--N 1.35 0.646 0 O-C-N 122.679 0.831 . . . . 25.0 114.124 -176.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 103.191 -2.892 . . . . 25.0 103.191 -175.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 119.157 -0.802 . . . . 25.0 111.401 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 tt -137.32 -32.45 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 CA-C-N 117.385 0.593 . . . . 25.0 111.86 -176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.74 -58.17 8.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 O-C-N 121.271 -0.893 . . . . 25.0 113.126 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -70.1 -27.95 65.01 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.944 -0.391 . . . . 25.0 109.944 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.16 -37.2 86.64 Favored 'General case' 0 C--O 1.205 -1.27 0 C-N-CA 120.276 -0.569 . . . . 25.0 109.611 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -42.83 39.91 Favored 'General case' 0 C--O 1.199 -1.601 0 CA-C-N 117.723 0.238 . . . . 25.0 111.325 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.98 39.46 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.839 -0.538 . . . . 25.0 111.916 -177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.17 25.67 0.47 Allowed 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -174.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 m -160.07 -176.99 5.98 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.32 0.581 . . . . 25.0 110.364 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -82.4 125.76 39.91 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 N-CA-C 105.438 -2.06 . . . . 25.0 105.438 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.3 m -71.95 119.89 16.78 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.44 -0.787 . . . . 25.0 111.13 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -69.23 142.63 54.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -54.36 -41.69 69.44 Favored 'General case' 0 C--O 1.205 -1.264 0 O-C-N 123.096 0.247 . . . . 25.0 111.618 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -68.61 -32.54 72.49 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -75.24 -30.49 60.53 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.087 -1.008 . . . . 25.0 109.78 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.59 -51.21 58.95 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 173.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.65 -25.46 67.39 Favored 'General case' 0 C--O 1.208 -1.129 0 O-C-N 121.951 -0.468 . . . . 25.0 110.954 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -63.79 -18.28 63.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -86.13 -19.55 29.99 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 123.488 0.493 . . . . 25.0 109.958 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.41 174.16 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 106.213 -1.773 . . . . 25.0 106.213 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 117.007 -1.473 . . . . 25.0 107.241 177.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 111.72 0.267 . . . . 25.0 111.72 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.6 t 59.04 52.18 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 N-CA-C 114.961 1.467 . . . . 25.0 114.961 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 56.38 -127.06 1.98 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 78.89 166.27 0.2 Allowed 'General case' 0 N--CA 1.487 1.395 0 O-C-N 125.814 1.946 . . . . 25.0 112.476 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -79.95 145.27 32.69 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 101.76 -3.422 . . . . 25.0 101.76 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -124.87 6.93 8.04 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.717 2.118 . . . . 25.0 116.717 -175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.5 127.36 30.97 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 25.0 111.179 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.55 -156.38 15.63 Favored Glycine 0 CA--C 1.535 1.29 0 N-CA-C 107.072 -2.411 . . . . 25.0 107.072 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -13.14 61.6 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.416 0.895 . . . . 25.0 113.416 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.05 -30.38 70.94 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.881 -0.512 . . . . 25.0 110.837 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -30.29 70.57 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 110.508 -0.182 . . . . 25.0 110.508 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.2 -44.89 83.82 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -65.71 -43.95 87.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.64 -51.68 64.66 Favored 'General case' 0 C--O 1.214 -0.775 0 C-N-CA 123.471 0.708 . . . . 25.0 110.021 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.69 -41.86 99.33 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.0 -0.37 . . . . 25.0 110.0 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.01 -43.59 98.51 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-O 121.055 0.455 . . . . 25.0 110.248 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.42 -38.63 87.88 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.82 -39.49 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.229 0.537 . . . . 25.0 111.988 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.93 -1.16 27.15 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 121.31 -0.868 . . . . 25.0 110.166 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.19 -54.53 3.14 Favored Glycine 0 C--O 1.222 -0.616 0 N-CA-C 116.601 1.4 . . . . 25.0 116.601 178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.55 -43.74 0.92 Allowed 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -163.28 164.85 24.78 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 109.053 -0.721 . . . . 25.0 109.053 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.87 13.97 0.42 Allowed Glycine 0 C--O 1.21 -1.353 0 C-N-CA 119.974 -1.108 . . . . 25.0 113.623 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -136.88 -38.47 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.956 1.095 . . . . 25.0 113.956 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 41.9 t80 57.9 94.93 0.03 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 122.781 1.277 . . . . 25.0 114.364 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.3 p -68.13 161.8 65.34 Favored Pre-proline 0 C--N 1.36 1.045 0 N-CA-C 104.603 -2.369 . . . . 25.0 104.603 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -65.29 145.88 84.75 Favored 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 114.961 -2.893 . . . . 25.0 116.909 -173.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.25 1.105 0 N-CA-C 106.121 -1.807 . . . . 25.0 106.121 -179.497 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.496 0 CA-C-O 119.735 -0.481 . . . . 25.0 113.036 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -60.27 -35.04 59.65 Favored 'Isoleucine or valine' 0 C--O 1.256 1.407 0 CA-C-N 118.528 1.164 . . . . 25.0 113.297 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.33 -50.99 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 112.412 0.523 . . . . 25.0 112.412 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.39 -39.48 94.63 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 118.734 -1.186 . . . . 25.0 111.273 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.02 -43.45 92.43 Favored 'General case' 0 C--O 1.206 -1.225 0 O-C-N 121.803 -0.56 . . . . 25.0 112.408 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.4 t -75.7 -28.49 58.65 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.59 -59.45 5.19 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.398 -0.964 . . . . 25.0 108.398 173.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.23 35.49 0.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 111.532 0.197 . . . . 25.0 111.532 -170.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -159.52 160.76 34.96 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.699 1.37 . . . . 25.0 114.699 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.95 -25.98 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.179 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 161.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.17 -170.28 0.2 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 106.416 -1.698 . . . . 25.0 106.416 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 m -141.19 157.46 45.22 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.978 -1.076 . . . . 25.0 111.584 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -58.92 -45.48 90.23 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 118.263 -0.875 . . . . 25.0 111.678 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.43 -36.26 83.39 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 119.168 0.894 . . . . 25.0 109.43 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.51 -37.47 85.13 Favored 'General case' 0 N--CA 1.504 2.273 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD11 ' HB1' ' B' ' 14' ' ' ALA . 3.6 tt -68.03 -40.06 82.98 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.727 0.299 . . . . 25.0 111.503 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -64.77 -29.33 70.3 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 119.092 -0.48 . . . . 25.0 109.941 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -17.38 61.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -77.37 -30.32 53.73 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.439 -0.505 . . . . 25.0 110.486 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.6 m -81.48 142.86 32.52 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 122.715 0.406 . . . . 25.0 111.128 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 115.348 -2.263 . . . . 25.0 108.939 -177.299 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.204 -1.291 0 CA-C-O 118.302 -0.856 . . . . 25.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t 70.88 94.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 106.727 -1.583 . . . . 25.0 106.727 -176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -54.7 136.44 45.83 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 118.354 -0.832 . . . . 25.0 110.05 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.77 170.16 14.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 103.407 -2.812 . . . . 25.0 103.407 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.33 139.55 55.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.3 mt -114.99 27.04 9.68 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -74.72 -39.53 61.84 Favored 'General case' 0 CA--C 1.578 2.021 0 C-N-CA 118.938 -1.105 . . . . 25.0 112.111 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.5 -149.16 7.75 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 121.462 0.479 . . . . 25.0 112.826 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -65.97 -6.78 13.7 Favored 'General case' 0 CA--C 1.558 1.252 0 O-C-N 122.074 -0.662 . . . . 25.0 110.13 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -62.27 -26.86 68.63 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.861 0.865 . . . . 25.0 111.458 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.96 -43.73 98.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.362 -0.836 . . . . 25.0 109.7 172.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.6 -47.39 93.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 C-N-CA 119.124 -1.03 . . . . 25.0 108.249 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.86 -38.91 87.17 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 114.586 1.328 . . . . 25.0 114.586 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.36 -48.57 80.68 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.513 -1.367 . . . . 25.0 109.813 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.02 -31.85 70.95 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.04 -46.3 81.81 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.255 0.55 . . . . 25.0 110.324 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.41 -39.76 64.8 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 114.929 1.455 . . . . 25.0 114.929 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -83.8 -39.29 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -113.0 14.23 19.62 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 121.895 -0.503 . . . . 25.0 111.856 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.75 25.65 63.93 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 115.469 0.948 . . . . 25.0 115.469 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 72.15 0.63 3.63 Favored 'General case' 0 C--O 1.199 -1.565 0 C-N-CA 124.914 1.286 . . . . 25.0 111.481 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.94 -0.74 57.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 O-C-N 121.172 -0.955 . . . . 25.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.01 -1.03 51.69 Favored Glycine 0 C--O 1.174 -3.621 0 O-C-N 123.962 0.789 . . . . 25.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.01 166.23 26.26 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.73 1.265 . . . . 25.0 110.841 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -143.53 101.34 3.76 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.486 -0.779 . . . . 25.0 110.782 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 18.4 p 70.85 158.67 0.16 Allowed Pre-proline 0 N--CA 1.498 1.959 0 C-N-CA 129.047 2.939 . . . . 25.0 107.127 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.1 140.39 41.31 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 116.805 -1.663 . . . . 25.0 114.405 -174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.257 1.449 0 O-C-N 126.459 2.35 . . . . 25.0 111.007 -174.595 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.126 0 CA-C-O 116.507 -2.274 . . . . 25.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -133.09 -27.35 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 CA-C-N 120.063 1.931 . . . . 25.0 111.63 -174.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.63 -51.85 67.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 C-N-CA 119.248 -0.981 . . . . 25.0 112.459 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.87 -31.11 69.81 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.922 -1.111 . . . . 25.0 108.851 -172.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -74.12 -34.18 63.82 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.192 -1.04 . . . . 25.0 108.192 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.14 -32.63 67.09 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 123.768 0.667 . . . . 25.0 110.43 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 m -78.86 -57.36 3.79 Favored 'General case' 0 C--O 1.248 1.001 0 O-C-N 124.702 1.251 . . . . 25.0 110.96 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -78.99 19.89 0.51 Allowed 'General case' 0 N--CA 1.483 1.176 0 O-C-N 121.771 -0.581 . . . . 25.0 111.817 -168.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 178.94 9.67 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.378 1.561 . . . . 25.0 109.46 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.1 mm -68.98 131.6 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.327 0 N-CA-C 103.803 -2.666 . . . . 25.0 103.803 167.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -98.07 119.62 37.02 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 124.349 1.03 . . . . 25.0 109.989 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -77.65 160.11 28.72 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 -168.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.9 tp -56.59 -40.03 74.58 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -72.26 -33.31 67.39 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.272 -0.971 . . . . 25.0 109.712 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -67.69 -39.28 84.45 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 122.37 1.081 . . . . 25.0 109.109 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.82 -47.76 82.02 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 113.444 -1.707 . . . . 25.0 110.171 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.63 -27.96 68.77 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 121.591 -0.693 . . . . 25.0 111.53 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -18.91 64.32 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -77.38 -27.35 52.5 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.96 0.886 . . . . 25.0 109.205 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.38 169.62 12.75 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 105.297 -2.112 . . . . 25.0 105.297 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 116.507 -1.711 . . . . 25.0 113.414 177.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 t 66.09 -100.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -155.98 157.49 36.28 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.108 1.322 . . . . 25.0 108.174 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 162.25 23.21 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 118.102 0.41 . . . . 25.0 110.818 174.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.7 121.13 26.47 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 103.715 -2.698 . . . . 25.0 103.715 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.69 96.84 5.68 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-N 119.995 1.27 . . . . 25.0 113.514 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -138.56 148.46 44.24 Favored 'General case' 0 C--O 1.201 -1.464 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 174.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.78 -145.95 42.62 Favored Glycine 0 C--O 1.211 -1.304 0 CA-C-O 118.226 -1.319 . . . . 25.0 112.497 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -64.16 -12.64 41.96 Favored 'General case' 0 CA--C 1.591 2.52 0 N-CA-C 115.263 1.579 . . . . 25.0 115.263 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -64.03 -35.08 79.56 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.899 0.857 . . . . 25.0 109.799 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.14 -33.3 75.46 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.07 0.938 . . . . 25.0 110.95 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.31 -47.21 81.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 N-CA-C 107.071 -1.455 . . . . 25.0 107.071 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -66.29 -38.35 87.55 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 110.457 -0.201 . . . . 25.0 110.457 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.87 84.22 Favored 'General case' 0 C--O 1.205 -1.25 0 O-C-N 123.525 0.516 . . . . 25.0 110.309 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -66.8 -40.64 88.17 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.407 0.442 . . . . 25.0 109.831 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.96 -41.39 82.78 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.1 -43.84 61.22 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 114.38 1.252 . . . . 25.0 114.38 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.17 -40.33 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 114.174 1.176 . . . . 25.0 114.174 -170.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -78.33 -5.74 53.07 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 119.819 1.19 . . . . 25.0 109.473 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.54 -68.67 0.31 Allowed Glycine 0 C--O 1.212 -1.237 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -158.49 -33.12 0.07 Allowed 'General case' 0 C--O 1.248 0.978 0 O-C-N 126.633 2.019 . . . . 25.0 108.696 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtm180 -135.6 177.44 7.82 Favored 'General case' 0 CA--C 1.576 1.981 0 CA-C-N 114.104 -1.407 . . . . 25.0 111.478 -174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.61 2.97 22.51 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 118.726 0.693 . . . . 25.0 113.892 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -130.24 167.84 17.8 Favored 'General case' 0 C--O 1.247 0.964 0 O-C-N 121.009 -1.289 . . . . 25.0 111.576 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -85.12 91.76 8.2 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 112.814 0.672 . . . . 25.0 112.814 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p 80.03 159.62 0.13 Allowed Pre-proline 0 C--N 1.384 2.091 0 C-N-CA 131.32 3.848 . . . . 25.0 108.008 -171.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.72 78.33 3.73 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 114.48 -3.213 . . . . 25.0 115.013 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.392 2.435 0 C-N-CA 129.289 3.036 . . . . 25.0 106.797 -173.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 CA-C-O 118.346 -1.252 . . . . 25.0 111.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -72.79 -30.61 33.57 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 CA-C-N 118.447 1.123 . . . . 25.0 112.853 -176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.74 -45.42 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 121.146 -0.222 . . . . 25.0 110.464 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -64.03 -40.41 96.26 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -65.55 -26.61 67.95 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 123.174 0.296 . . . . 25.0 111.334 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -42.26 19.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.921 -0.487 . . . . 25.0 110.197 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.6 m -70.59 -22.1 62.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -76.32 79.76 3.08 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.3 0.571 . . . . 25.0 111.279 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m 81.98 -161.47 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.544 -1.662 . . . . 25.0 109.54 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.91 127.43 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.09 0.471 . . . . 25.0 110.918 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.45 157.66 31.46 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.022 0.529 . . . . 25.0 111.252 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.7 m -112.56 157.18 21.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.63 . . . . 25.0 110.216 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.67 -40.53 88.09 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.532 -0.758 . . . . 25.0 111.944 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -71.25 -27.17 63.26 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.785 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -73.63 -35.71 65.35 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 121.048 -1.032 . . . . 25.0 108.913 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HB1' ' B' ' 14' ' ' ALA . 5.9 tt -64.36 -47.25 80.02 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 176.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -66.02 -28.32 68.77 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.74 -4.84 17.41 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.876 1.436 . . . . 25.0 114.876 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -84.97 -23.04 28.91 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.471 -0.768 . . . . 25.0 110.656 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 93.1 m -80.48 152.12 28.9 Favored 'General case' 0 C--O 1.203 -1.354 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 . . . . . 0 C--O 1.261 1.699 0 CA-C-O 116.866 -1.54 . . . . 25.0 109.649 -179.157 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 118.733 -0.651 . . . . 25.0 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.9 t -129.33 -76.56 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -150.82 -114.87 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 109.336 -0.616 . . . . 25.0 109.336 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 75.83 170.61 0.26 Allowed 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 126.03 1.732 . . . . 25.0 111.745 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -93.39 132.78 37.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.0 129.08 41.62 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 72.6 m -135.58 -38.93 0.73 Allowed 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 115.247 1.573 . . . . 25.0 115.247 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.16 -75.29 0.01 OUTLIER Glycine 0 C--O 1.216 -0.997 0 C-N-CA 119.861 -1.161 . . . . 25.0 114.979 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -62.21 -64.97 0.77 Allowed 'General case' 0 C--O 1.211 -0.946 0 O-C-N 122.189 -0.594 . . . . 25.0 111.616 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -64.04 -12.32 37.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.725 1.009 . . . . 25.0 113.725 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.1 -33.07 74.94 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.94 -45.06 92.07 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.226 0 CA-C-O 122.13 0.967 . . . . 25.0 108.801 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.82 -38.18 89.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.821 0.82 . . . . 25.0 110.93 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -62.9 -49.36 75.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.257 -0.902 . . . . 25.0 109.16 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.15 -42.46 96.75 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.88 -43.5 98.72 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.31 -37.57 80.73 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 112.514 0.561 . . . . 25.0 112.514 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -84.73 -55.69 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 112.486 0.551 . . . . 25.0 112.486 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.2 m -86.52 -12.63 48.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.433 -0.792 . . . . 25.0 111.522 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.66 48.1 87.9 Favored Glycine 0 C--O 1.223 -0.575 0 CA-C-O 118.878 -0.956 . . . . 25.0 112.623 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 72.61 -34.55 0.3 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.636 1.574 . . . . 25.0 113.824 -177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 59.5 mtm-85 -68.44 35.79 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.13 1.02 0.03 OUTLIER Glycine 0 C--O 1.216 -0.989 0 N-CA-C 116.949 1.54 . . . . 25.0 116.949 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -149.15 161.13 42.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.205 2.003 . . . . 25.0 110.507 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -136.89 117.35 13.74 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 35.9 p -69.18 155.31 93.81 Favored Pre-proline 0 C--N 1.35 0.616 0 CA-C-N 114.273 -1.331 . . . . 25.0 108.103 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.8 90.08 0.96 Allowed 'Trans proline' 0 C--O 1.244 0.797 0 C-N-CA 116.987 -1.542 . . . . 25.0 113.393 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--N 1.352 0.697 0 N-CA-C 106.348 -1.723 . . . . 25.0 106.348 -177.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 117.62 -1.656 . . . . 25.0 109.821 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.35 -34.98 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.638 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -61.48 -36.8 75.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 119.675 1.125 . . . . 25.0 111.095 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.27 -42.94 78.84 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.29 -45.52 84.12 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -32.32 72.71 Favored 'General case' 0 C--O 1.203 -1.374 0 O-C-N 123.266 0.353 . . . . 25.0 111.706 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -69.36 -51.86 32.77 Favored 'General case' 0 CA--C 1.487 -1.448 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 p -79.52 20.39 0.56 Allowed 'General case' 0 C--O 1.203 -1.372 0 N-CA-C 114.13 1.159 . . . . 25.0 114.13 -175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 t -159.39 -173.87 4.39 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.995 1.379 . . . . 25.0 111.794 -172.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mm -91.73 109.84 21.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 CA-C-N 113.509 -1.678 . . . . 25.0 106.822 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m -66.55 121.69 15.91 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.175 0.988 . . . . 25.0 110.56 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.8 m -78.2 160.99 27.65 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.093 -0.958 . . . . 25.0 109.451 172.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -58.86 -40.46 84.36 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -75.18 -27.63 59.72 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 119.888 -0.725 . . . . 25.0 111.073 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -70.5 -32.4 69.88 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.673 -0.811 . . . . 25.0 111.333 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.64 -48.06 73.47 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.546 -0.862 . . . . 25.0 109.412 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -62.95 -25.79 68.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.219 -0.901 . . . . 25.0 112.468 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -61.98 -31.13 71.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -66.86 -28.25 68.19 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 m -86.45 123.32 31.54 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.475 -1.305 . . . . 25.0 107.475 -173.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.259 1.574 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 -175.256 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.6 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -124.02 156.27 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -112.93 102.7 10.68 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 124.245 1.018 . . . . 25.0 111.699 -171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -157.8 81.45 0.87 Allowed 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.345 1.239 . . . . 25.0 114.345 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 m80 26.56 66.62 0.07 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -81.3 47.31 1.02 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.007 1.114 . . . . 25.0 114.007 -169.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -71.27 114.9 9.81 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -113.43 4.36 Favored Glycine 0 CA--C 1.537 1.44 0 CA-C-O 117.88 -1.511 . . . . 25.0 114.434 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -62.94 -41.45 99.5 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-N 119.492 1.646 . . . . 25.0 114.076 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -64.26 -19.82 65.64 Favored 'General case' 0 N--CA 1.437 -1.08 0 O-C-N 120.906 -1.121 . . . . 25.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.92 -33.45 72.18 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 119.889 -1.757 . . . . 25.0 111.229 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.03 -44.61 99.18 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 O-C-N 120.853 -1.155 . . . . 25.0 110.257 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -66.64 -35.38 80.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.231 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.38 90.77 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.339 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.98 -41.43 97.53 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 107.848 -1.167 . . . . 25.0 107.848 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -61.55 -43.13 99.43 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.235 1.014 . . . . 25.0 110.419 -177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 62.1 mt -71.71 -38.26 70.55 Favored 'General case' 0 C--O 1.201 -1.486 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.43 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -89.61 -56.43 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.259 0 N-CA-C 113.303 0.853 . . . . 25.0 113.303 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.99 -11.15 18.38 Favored 'General case' 0 C--O 1.259 1.59 0 CA-C-O 121.691 0.758 . . . . 25.0 113.042 -174.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.87 -154.53 39.58 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-N 113.907 -1.497 . . . . 25.0 113.661 -173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -65.33 -12.35 51.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 113.329 0.863 . . . . 25.0 113.329 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -83.58 -5.39 59.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.019 -176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.98 -17.02 17.41 Favored Glycine 0 C--O 1.22 -0.74 0 N-CA-C 115.949 1.14 . . . . 25.0 115.949 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -157.14 164.58 37.68 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 118.455 1.128 . . . . 25.0 113.891 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -126.17 106.91 9.89 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 121.749 -0.594 . . . . 25.0 110.312 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -68.99 158.91 85.12 Favored Pre-proline 0 CA--C 1.511 -0.547 0 O-C-N 124.645 1.216 . . . . 25.0 110.664 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.47 107.34 1.97 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 116.601 -1.799 . . . . 25.0 114.095 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 51.8 p . . . . . 0 C--O 1.254 1.304 0 CA-C-N 112.79 -2.004 . . . . 25.0 110.479 -177.308 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.797 0 CA-C-O 119.059 -0.856 . . . . 25.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.7 tt -67.95 -23.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 122.928 0.491 . . . . 25.0 110.958 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.05 -45.55 83.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.975 -0.453 . . . . 25.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -71.52 -26.99 62.89 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.117 -0.989 . . . . 25.0 110.781 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -69.5 -37.5 77.23 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.59 . . . . 25.0 109.52 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -76.22 -29.42 57.56 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 123.158 1.456 . . . . 25.0 109.591 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.2 t -70.31 -65.31 0.74 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.074 -1.421 . . . . 25.0 112.178 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.82 26.07 1.4 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 111.767 0.284 . . . . 25.0 111.767 -163.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -161.97 166.54 25.93 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 106.506 -1.665 . . . . 25.0 106.506 -177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 mm -64.82 118.18 6.68 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 103.02 -2.955 . . . . 25.0 103.02 169.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HB3' HD23 ' B' ' 6' ' ' LEU . 11.9 t -73.37 114.7 11.88 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 107.378 -1.342 . . . . 25.0 107.378 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.74 140.58 58.89 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 121.723 -0.61 . . . . 25.0 109.728 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 tp -54.96 -35.96 64.82 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 123.232 0.332 . . . . 25.0 111.573 -174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -73.01 -24.99 60.82 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.086 -1.009 . . . . 25.0 112.97 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -80.36 -32.41 37.71 Favored 'General case' 0 C--O 1.186 -2.238 0 N-CA-C 107.22 -1.4 . . . . 25.0 107.22 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' B' ' 14' ' ' ALA . 4.9 tt -59.52 -50.46 73.82 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 172.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.26 -26.86 68.68 Favored 'General case' 0 C--O 1.207 -1.171 0 N-CA-C 109.814 -0.439 . . . . 25.0 109.814 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -60.33 -23.7 64.43 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-O 118.746 -0.645 . . . . 25.0 111.932 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -75.7 -25.89 57.08 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 t -79.61 156.8 27.51 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 124.066 0.854 . . . . 25.0 113.282 -169.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.245 0.852 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 177.577 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 118.942 -0.551 . . . . 25.0 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t 73.9 129.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 C-N-CA 124.44 1.096 . . . . 25.0 110.598 -172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -61.66 135.55 57.67 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 171.82 19.15 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.173 0.921 . . . . 25.0 111.922 175.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -85.69 138.73 31.92 Favored 'General case' 0 CA--C 1.499 -0.994 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 11' ' ' CYS . 1.8 mm? -130.38 77.85 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.866 1.354 . . . . 25.0 111.913 -175.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -104.33 -55.45 2.35 Favored 'General case' 0 C--O 1.204 -1.328 0 CA-C-N 114.806 -1.088 . . . . 25.0 113.784 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.48 -150.54 16.7 Favored Glycine 0 C--O 1.196 -2.238 0 CA-C-O 121.977 0.765 . . . . 25.0 114.556 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.04 -14.77 2.81 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 112.303 0.482 . . . . 25.0 112.303 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -56.38 -30.99 63.4 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.907 -1.12 . . . . 25.0 109.888 173.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.47 -33.27 75.19 Favored 'General case' 0 C--O 1.179 -2.658 0 CA-C-N 118.43 0.559 . . . . 25.0 112.133 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.72 -40.36 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-O 121.717 0.77 . . . . 25.0 110.241 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -67.97 -43.18 79.57 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -56.53 -46.19 80.75 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.7 mt -69.44 -36.29 76.49 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 117.619 -1.182 . . . . 25.0 112.457 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.39 -39.41 90.57 Favored 'General case' 0 N--CA 1.436 -1.141 0 O-C-N 124.009 0.818 . . . . 25.0 112.44 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.29 -42.05 62.86 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 114.824 1.416 . . . . 25.0 114.824 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.7 t -87.41 -36.37 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.413 0.894 . . . . 25.0 113.413 -169.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 95.8 m -83.75 -10.12 58.34 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.039 -0.982 . . . . 25.0 108.649 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.95 44.48 91.62 Favored Glycine 0 CA--C 1.491 -1.43 0 C-N-CA 119.086 -1.53 . . . . 25.0 109.476 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 78.54 -50.14 0.46 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.883 2.073 . . . . 25.0 113.83 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -82.2 102.81 11.36 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.245 1.943 . . . . 25.0 116.245 -169.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.58 -8.69 0.07 OUTLIER Glycine 0 C--O 1.175 -3.572 0 C-N-CA 118.813 -1.661 . . . . 25.0 117.126 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -139.8 -20.25 0.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 116.847 2.165 . . . . 25.0 116.847 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 19.82 84.61 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 116.597 2.073 . . . . 25.0 116.597 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 148.01 162.22 0.0 OUTLIER Pre-proline 0 C--N 1.377 1.768 1 C-N-CA 134.561 5.145 . . . . 25.0 101.813 175.046 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.51 128.35 16.12 Favored 'Trans proline' 0 C--N 1.36 1.163 1 C-N-CA 111.463 -5.225 . . . . 25.0 111.279 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.399 2.742 0 CA-C-O 116.735 -1.602 . . . . 25.0 114.016 -169.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.638 0 CA-C-O 118.358 -1.246 . . . . 25.0 110.609 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 tt -62.41 -34.55 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.21 1.005 . . . . 25.0 109.858 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.26 -44.35 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.931 -1.106 . . . . 25.0 111.907 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.84 -47.57 71.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.146 -0.934 . . . . 25.0 109.248 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -31.45 62.16 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.426 -0.352 . . . . 25.0 111.323 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -79.76 -43.4 22.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -58.68 4.7 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 122.633 1.206 . . . . 25.0 113.778 -175.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.39 16.92 0.12 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -174.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -165.34 -170.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 123.405 1.574 . . . . 25.0 109.545 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mm -79.44 118.99 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 O-C-N 121.018 -1.051 . . . . 25.0 109.762 176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -71.61 107.14 4.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -79.54 156.75 27.61 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 tp -58.47 -43.28 88.86 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.798 -0.564 . . . . 25.0 112.473 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -69.82 -23.42 63.31 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 113.291 0.848 . . . . 25.0 113.291 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.77 -24.95 30.88 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.883 0.849 . . . . 25.0 108.876 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.05 -50.12 44.34 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 106.819 -1.549 . . . . 25.0 106.819 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.93 -27.84 69.66 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 123.489 0.493 . . . . 25.0 111.221 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.52 -18.37 51.7 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 113.34 0.867 . . . . 25.0 113.34 171.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -78.49 -27.64 46.24 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 120.04 1.291 . . . . 25.0 109.07 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.1 m -87.04 179.09 6.74 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.706 0.802 . . . . 25.0 110.763 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 103.881 -2.636 . . . . 25.0 103.881 -176.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.201 -1.463 0 CA-C-O 119.688 -0.196 . . . . 25.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t 72.71 108.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 125.426 1.491 . . . . 25.0 109.224 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -71.74 142.16 49.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.012 -1.107 . . . . 25.0 108.012 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -165.42 40.88 0.07 Allowed 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 116.115 1.894 . . . . 25.0 116.115 -171.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 m80 49.68 75.16 0.17 Allowed 'General case' 0 CA--C 1.561 1.396 0 CA-C-N 118.752 0.706 . . . . 25.0 112.332 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -81.4 168.76 17.99 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.103 -1.443 . . . . 25.0 107.103 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -152.23 175.08 12.99 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 103.927 -2.62 . . . . 25.0 103.927 166.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -21.11 -58.78 0.02 OUTLIER Glycine 0 N--CA 1.486 2.027 0 N-CA-C 120.883 3.113 . . . . 25.0 120.883 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -65.86 -47.21 75.66 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 114.532 1.308 . . . . 25.0 114.532 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -75.91 -19.91 58.43 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 122.157 0.979 . . . . 25.0 112.97 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.22 -33.96 76.93 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.389 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.05 -43.28 96.0 Favored 'Isoleucine or valine' 0 C--O 1.251 1.133 0 CA-C-O 121.908 0.861 . . . . 25.0 111.744 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -69.13 -37.3 78.24 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.867 -1.146 . . . . 25.0 108.021 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.35 90.29 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.336 -0.987 . . . . 25.0 108.336 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.6 -42.32 98.7 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 110.367 -0.234 . . . . 25.0 110.367 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -64.32 -37.76 88.65 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.0 -33.56 63.85 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.533 1.309 . . . . 25.0 114.533 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -94.89 -46.75 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.331 -0.395 . . . . 25.0 111.73 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.507 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 25.6 m -108.23 -33.52 7.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.994 1.109 . . . . 25.0 113.994 -178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.62 -157.81 52.9 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 123.112 1.396 . . . . 25.0 113.423 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -68.88 -6.9 29.98 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.497 -1.002 . . . . 25.0 110.318 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -91.58 7.3 42.08 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.0 -0.546 . . . . 25.0 111.806 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . -138.88 -29.16 0.23 Allowed Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 117.108 1.603 . . . . 25.0 117.108 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -143.32 158.17 43.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 120.137 1.968 . . . . 25.0 110.827 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -143.75 78.23 1.58 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.621 1.201 . . . . 25.0 111.904 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.4 p 71.31 158.26 0.16 Allowed Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 129.281 3.032 . . . . 25.0 109.316 -172.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.11 142.49 98.47 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 116.288 -2.008 . . . . 25.0 114.25 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.26 1.655 0 C-N-CA 125.49 1.516 . . . . 25.0 107.915 -178.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.331 0 N-CA-C 110.805 -0.918 . . . . 25.0 110.805 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.9 -27.63 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 112.904 0.705 . . . . 25.0 112.904 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.7 t -57.67 -53.22 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 CA-C-N 118.183 0.447 . . . . 25.0 110.971 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.9 -40.66 96.21 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-O 120.863 0.363 . . . . 25.0 110.684 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.44 -30.08 64.71 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.701 0.63 . . . . 25.0 112.701 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 m -95.49 -17.73 21.23 Favored 'General case' 0 C--O 1.192 -1.941 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.4 m -88.68 -18.22 28.36 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.298 0.499 . . . . 25.0 111.542 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.4 p -82.77 66.17 8.25 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 123.077 1.418 . . . . 25.0 109.076 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t 77.24 155.66 0.16 Allowed 'General case' 0 C--O 1.192 -1.953 0 CA-C-N 112.305 -2.225 . . . . 25.0 108.658 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 HG12 ' HA ' ' B' ' 5' ' ' HIS . 12.2 mt -52.34 119.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 118.011 2.597 . . . . 25.0 118.011 -174.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -91.0 160.1 15.8 Favored 'General case' 0 C--O 1.258 1.5 0 CA-C-N 114.83 -1.077 . . . . 25.0 112.151 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.06 165.37 24.09 Favored 'General case' 0 C--O 1.261 1.704 0 N-CA-C 113.961 1.097 . . . . 25.0 113.961 -175.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.16 -37.31 79.78 Favored 'General case' 0 C--O 1.181 -2.504 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -69.21 -28.33 66.27 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.914 -1.116 . . . . 25.0 111.299 -177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -76.6 -33.62 58.41 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.85 -42.0 82.07 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 114.95 -1.023 . . . . 25.0 110.123 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -67.18 -23.69 65.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.084 0.553 . . . . 25.0 111.362 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -13.45 62.26 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 117.286 -1.34 . . . . 25.0 110.022 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -66.14 -36.45 83.16 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.974 1.261 . . . . 25.0 109.514 170.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 169.27 15.9 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-O 118.583 -0.722 . . . . 25.0 110.198 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.3 -1.582 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.672 -175.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.8 t80 . . . . . 0 C--O 1.195 -1.773 0 N-CA-C 110.293 -0.262 . . . . 25.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 88.1 t -118.64 136.01 57.22 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 N-CA-C 102.668 -3.086 . . . . 25.0 102.668 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.23 137.84 57.26 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 122.204 1.002 . . . . 25.0 110.976 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -143.42 166.01 25.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 10' ' ' ILE . 1.4 t60 -82.69 -5.06 58.67 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.488 -0.885 . . . . 25.0 109.167 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.46 -155.36 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 158.17 0.08 Allowed 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.762 2.025 . . . . 25.0 110.644 -173.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.22 -147.44 38.55 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 119.466 -1.35 . . . . 25.0 110.276 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 -29.34 68.51 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 120.357 -1.672 . . . . 25.0 114.212 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -63.39 -27.75 69.52 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.364 0.266 . . . . 25.0 111.556 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.55 -39.85 51.6 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.952 -0.547 . . . . 25.0 109.765 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.9 -47.23 89.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.27 -38.41 86.63 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.23 84.5 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 120.268 -1.52 . . . . 25.0 111.77 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 -42.96 99.85 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -60.49 -41.58 94.54 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 121.859 0.838 . . . . 25.0 111.24 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.76 -39.95 69.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 119.621 -0.831 . . . . 25.0 112.279 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -84.61 -49.51 15.83 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.298 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 33.7 m -81.8 -29.63 32.6 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.116 -0.99 . . . . 25.0 109.007 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.71 -158.35 15.8 Favored Glycine 0 C--N 1.36 1.903 0 N-CA-C 110.079 -1.208 . . . . 25.0 110.079 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.53 -12.98 61.3 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.614 -1.521 . . . . 25.0 113.753 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -130.7 150.36 51.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 104.876 -2.268 . . . . 25.0 104.876 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.38 -4.64 2.85 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 120.815 -0.707 . . . . 25.0 113.298 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -156.28 160.87 40.14 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 121.752 -0.852 . . . . 25.0 109.63 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -135.46 104.56 5.88 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.149 0.906 . . . . 25.0 111.082 172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.7 p -64.44 154.95 82.51 Favored Pre-proline 0 C--O 1.196 -1.733 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 175.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.85 136.07 74.31 Favored 'Trans proline' 0 C--O 1.241 0.638 0 C-N-CA 116.18 -2.08 . . . . 25.0 112.387 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 125.252 1.421 . . . . 25.0 110.69 -170.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.66 0 CA-C-O 117.493 -1.726 . . . . 25.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -61.33 -32.47 53.23 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.411 0 N-CA-C 114.806 1.41 . . . . 25.0 114.806 -169.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -71.26 -42.84 74.69 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 118.797 0.726 . . . . 25.0 109.447 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.0 -31.61 70.56 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.117 -1.033 . . . . 25.0 109.038 -174.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -70.66 -42.4 70.82 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-O 122.113 0.959 . . . . 25.0 113.152 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.0 t -63.81 -30.37 71.47 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.404 -1.271 . . . . 25.0 111.821 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.8 t -75.25 -60.4 2.31 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.668 -1.151 . . . . 25.0 108.859 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.9 p -75.37 12.27 1.01 Allowed 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 116.297 1.962 . . . . 25.0 116.297 -166.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 m -151.51 175.78 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 124.481 1.113 . . . . 25.0 111.447 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -66.25 121.21 14.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 102.334 -3.21 . . . . 25.0 102.334 166.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.73 120.97 24.14 Favored 'General case' 0 C--O 1.247 0.956 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 m -76.76 151.08 36.14 Favored 'General case' 0 C--O 1.194 -1.856 0 CA-C-O 122.485 1.136 . . . . 25.0 109.894 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.46 -40.76 79.21 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 114.843 -1.071 . . . . 25.0 113.061 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.06 -27.23 64.46 Favored 'General case' 0 C--O 1.206 -1.235 0 O-C-N 120.773 -1.204 . . . . 25.0 110.783 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -72.96 -41.89 63.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 tt -60.71 -49.49 77.3 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 116.009 -0.541 . . . . 25.0 110.091 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.55 -26.14 65.11 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 115.055 1.502 . . . . 25.0 115.055 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -70.25 -18.27 63.14 Favored 'General case' 0 CA--C 1.578 2.047 0 C-N-CA 118.974 -1.09 . . . . 25.0 109.572 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -78.69 -16.49 57.21 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.67 7.63 45.73 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.557 -1.201 . . . . 25.0 109.282 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p30 . . . . . 0 C--O 1.264 1.817 0 CA-C-O 112.584 -3.579 . . . . 25.0 114.385 172.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.194 -1.82 0 CA-C-O 117.65 -1.167 . . . . 25.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.5 t 77.72 121.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 105.923 -1.881 . . . . 25.0 105.923 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -72.83 141.99 48.0 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.12 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -162.15 173.24 14.58 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.75 142.73 38.51 Favored 'General case' 0 C--O 1.203 -1.378 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 164.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -117.24 89.09 3.04 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 119.411 -0.915 . . . . 25.0 109.358 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 t -130.77 65.43 1.54 Allowed 'General case' 0 C--O 1.191 -2.022 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.664 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.66 -153.55 24.31 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-O 117.383 -1.787 . . . . 25.0 109.16 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -61.15 -11.13 7.86 Favored 'General case' 0 N--CA 1.52 3.075 0 CA-C-N 120.711 2.255 . . . . 25.0 113.485 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.91 -28.03 69.25 Favored 'General case' 0 C--O 1.2 -1.523 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.24 -40.43 97.42 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 122.29 -0.256 . . . . 25.0 111.052 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.57 -42.92 90.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 106.498 -1.667 . . . . 25.0 106.498 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.49 -37.85 88.03 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.756 0.66 . . . . 25.0 110.743 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.22 74.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.64 -31.67 69.91 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 124.118 0.886 . . . . 25.0 109.975 -175.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.18 -43.46 98.18 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.303 -0.862 . . . . 25.0 109.511 174.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.89 -38.75 61.79 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 113.637 0.977 . . . . 25.0 113.637 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.75 -42.55 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.673 -0.642 . . . . 25.0 110.842 -169.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -113.69 1.97 15.07 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.48 40.32 86.32 Favored Glycine 0 N--CA 1.479 1.562 0 CA-C-N 119.531 1.06 . . . . 25.0 114.265 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 77.02 1.02 3.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.09 1.756 . . . . 25.0 114.864 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -83.85 -5.08 59.13 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.171 -1.58 . . . . 25.0 109.902 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.96 1.65 25.7 Favored Glycine 0 C--N 1.358 1.762 0 N-CA-C 115.816 1.087 . . . . 25.0 115.816 -171.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -153.03 165.52 35.31 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 105.75 -1.944 . . . . 25.0 105.75 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -100.61 -62.96 1.18 Allowed 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 112.926 -1.943 . . . . 25.0 108.216 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -69.07 160.25 79.35 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-N 113.573 -1.649 . . . . 25.0 109.665 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -70.39 116.05 4.45 Favored 'Trans proline' 0 C--O 1.2 -1.391 0 C-N-CA 114.09 -3.474 . . . . 25.0 111.779 176.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.376 1.721 0 CA-C-N 113.38 -1.737 . . . . 25.0 108.339 178.81 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.169 0 CA-C-O 117.854 -1.525 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.8 mt -68.94 -30.47 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 117.836 0.818 . . . . 25.0 110.351 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.05 -40.86 88.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 O-C-N 120.766 -1.209 . . . . 25.0 108.451 -172.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -62.28 -45.39 93.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 108.263 -1.014 . . . . 25.0 108.263 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.41 -31.76 73.0 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 124.13 0.893 . . . . 25.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 t -80.0 -31.76 39.74 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.411 0.624 . . . . 25.0 110.365 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.4 m -82.24 -74.88 0.32 Allowed 'General case' 0 CA--C 1.492 -1.284 0 CA-C-O 122.664 1.221 . . . . 25.0 111.566 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.16 20.78 0.63 Allowed 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 124.538 1.135 . . . . 25.0 112.377 -171.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -162.44 -167.39 1.57 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.576 1.179 . . . . 25.0 110.587 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.9 mm -78.92 101.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 121.228 -0.92 . . . . 25.0 112.552 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.1 t -63.62 112.52 2.85 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.7 m -99.31 159.3 15.1 Favored 'General case' 0 C--N 1.309 -1.171 0 O-C-N 124.101 0.875 . . . . 25.0 111.014 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -54.9 -45.39 74.69 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 115.168 1.544 . . . . 25.0 115.168 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -71.7 -31.82 67.16 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-O 122.946 1.355 . . . . 25.0 109.037 -173.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.34 -40.45 81.57 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.11 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD13 HG21 ' B' ' 18' ' ' VAL . 5.3 tt -65.56 -48.73 71.4 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 123.747 0.819 . . . . 25.0 109.38 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -59.54 -30.58 68.71 Favored 'General case' 0 C--O 1.195 -1.8 0 CA-C-N 115.125 -0.943 . . . . 25.0 109.055 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -60.96 -21.64 63.69 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.42 0.896 . . . . 25.0 113.42 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -73.07 -35.62 66.71 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 123.957 0.786 . . . . 25.0 111.749 171.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -75.55 146.05 40.77 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.069 0.766 . . . . 25.0 113.069 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 CA--C 1.501 -0.934 0 CA-C-O 116.827 -1.558 . . . . 25.0 109.26 -177.451 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 118.875 -0.583 . . . . 25.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 m -101.94 133.49 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.344 -1.354 . . . . 25.0 107.344 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -99.72 89.2 4.03 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.213 -1.358 . . . . 25.0 109.666 -172.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -134.36 53.79 1.98 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.358 1.984 . . . . 25.0 116.358 -171.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m80 51.89 62.77 2.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 119.76 1.163 . . . . 25.0 110.946 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -90.91 65.58 5.73 Favored 'General case' 0 C--N 1.313 -0.998 0 O-C-N 120.918 -1.114 . . . . 25.0 110.214 -168.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 12.5 t -78.36 -32.81 49.18 Favored 'General case' 0 N--CA 1.515 2.81 0 O-C-N 121.856 -0.527 . . . . 25.0 112.135 -174.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.65 -143.4 2.87 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 119.095 2.398 . . . . 25.0 119.095 -176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -67.87 -10.96 57.45 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.788 0.804 . . . . 25.0 111.878 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -72.16 -14.42 61.81 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.092 -0.958 . . . . 25.0 110.556 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.13 -37.22 80.86 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 122.143 0.973 . . . . 25.0 109.565 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.02 -41.71 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.038 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -64.55 -45.26 87.88 Favored 'General case' 0 C--O 1.204 -1.322 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -54.46 -57.2 12.25 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 16' ' ' LEU . 18.6 mt -61.22 -38.76 87.78 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 111.882 0.327 . . . . 25.0 111.882 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.62 -40.91 93.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.711 0.404 . . . . 25.0 110.59 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -80.14 -43.89 20.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.477 HG21 HD13 ' A' ' 16' ' ' LEU . 77.3 t -74.85 -44.56 45.25 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.099 0 O-C-N 123.87 0.731 . . . . 25.0 109.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -71.16 -54.72 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.374 -0.93 . . . . 25.0 109.763 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.35 20.31 67.38 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 118.888 -1.625 . . . . 25.0 114.146 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.26 26.76 0.69 Allowed 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 50.83 38.23 19.25 Favored 'General case' 0 C--O 1.26 1.657 0 C-N-CA 122.874 0.47 . . . . 25.0 112.249 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.84 41.36 3.04 Favored Glycine 0 N--CA 1.478 1.452 0 C-N-CA 119.162 -1.494 . . . . 25.0 113.955 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -155.44 161.51 40.95 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 106.165 -1.791 . . . . 25.0 106.165 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -122.85 105.44 10.02 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.879 0.847 . . . . 25.0 108.969 -179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.76 159.91 82.05 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 102.91 -2.996 . . . . 25.0 102.91 168.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.05 111.52 2.89 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 114.991 -2.872 . . . . 25.0 111.341 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.367 1.354 0 N-CA-C 106.238 -1.764 . . . . 25.0 106.238 -177.829 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.54 5.567 0 CA-C-O 122.261 0.923 . . . . 25.0 111.969 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 tt -60.11 -31.22 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 120.804 -1.409 . . . . 25.0 110.45 -177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.56 -51.39 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.654 0.661 . . . . 25.0 111.374 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -63.45 -38.89 92.86 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 119.643 -0.823 . . . . 25.0 109.561 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.69 -35.32 80.16 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.379 -1.451 . . . . 25.0 114.705 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -77.56 -25.02 49.71 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 123.316 1.531 . . . . 25.0 110.285 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -66.93 0.7 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.771 -1.104 . . . . 25.0 110.7 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.0 p -77.58 21.53 0.28 Allowed 'General case' 0 C--N 1.342 0.279 0 CA-C-N 115.014 -0.993 . . . . 25.0 112.186 -168.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -154.84 167.31 30.7 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.781 -1.2 . . . . 25.0 110.175 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.18 116.18 7.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 t -87.72 124.94 34.1 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.515 -0.74 . . . . 25.0 110.626 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -77.15 160.01 29.31 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.433 1.111 . . . . 25.0 113.44 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.8 tp -53.49 -43.76 68.48 Favored 'General case' 0 C--O 1.186 -2.255 0 N-CA-C 115.684 1.735 . . . . 25.0 115.684 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -72.31 -27.56 62.53 Favored 'General case' 0 C--O 1.199 -1.597 0 O-C-N 120.888 -1.132 . . . . 25.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -68.39 -37.55 80.5 Favored 'General case' 0 C--O 1.249 1.075 0 O-C-N 122.011 -0.43 . . . . 25.0 111.043 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.24 -38.59 75.21 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 124.585 1.178 . . . . 25.0 110.625 174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.7 -30.68 71.7 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 118.733 -1.187 . . . . 25.0 112.216 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.51 -21.19 66.19 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 121.005 -1.059 . . . . 25.0 113.654 175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -83.51 -24.85 31.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 119.832 1.197 . . . . 25.0 110.631 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 83.8 m -69.27 125.34 26.4 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 -169.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 p30 . . . . . 0 C--O 1.251 1.163 0 N-CA-C 108.258 -1.015 . . . . 25.0 108.258 174.681 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.2 t80 . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 119.651 -0.214 . . . . 25.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.1 34.3 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 115.52 1.674 . . . . 25.0 115.52 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 t30 58.94 45.63 14.79 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 122.295 1.045 . . . . 25.0 112.814 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -87.5 161.06 18.01 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.752 -1.113 . . . . 25.0 113.843 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.88 137.56 37.72 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 167.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.8 mt -106.56 -137.75 0.36 Allowed 'General case' 0 C--O 1.199 -1.588 0 C-N-CA 119.547 -0.861 . . . . 25.0 109.982 -171.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.36 59.41 0.8 Allowed 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.19 -145.51 11.84 Favored Glycine 0 CA--C 1.495 -1.192 0 N-CA-C 109.716 -1.354 . . . . 25.0 109.716 -178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.0 p -65.86 -29.88 70.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.135 0.969 . . . . 25.0 112.344 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -66.59 -22.29 66.13 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 120.186 -1.571 . . . . 25.0 112.664 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.86 -41.85 86.63 Favored 'General case' 0 C--O 1.246 0.906 0 C-N-CA 119.9 -0.72 . . . . 25.0 109.143 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.98 -44.63 97.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.6 -1.182 . . . . 25.0 109.243 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.48 -39.62 91.58 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.069 -0.345 . . . . 25.0 110.069 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.12 82.08 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.345 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.48 -43.4 94.3 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.97 -47.93 84.16 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 118.763 -0.637 . . . . 25.0 110.598 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.01 -38.51 72.65 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-O 118.724 -0.655 . . . . 25.0 112.247 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.04 -42.44 20.04 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 CA-C-N 119.183 0.902 . . . . 25.0 109.882 -174.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HA3' ' B' ' 23' ' ' GLY . 29.9 m -80.44 -44.13 19.8 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.265 1.58 . . . . 25.0 115.265 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.01 -160.24 19.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 107.382 -2.287 . . . . 25.0 107.382 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -70.39 -9.91 57.6 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 121.989 0.899 . . . . 25.0 110.854 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -139.16 165.09 28.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.856 -1.905 . . . . 25.0 105.856 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' B' ' 19' ' ' CYS . . . 133.0 -18.47 4.49 Favored Glycine 0 C--O 1.209 -1.459 0 C-N-CA 119.565 -1.302 . . . . 25.0 111.77 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -151.57 161.99 41.74 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 118.454 1.127 . . . . 25.0 111.815 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -135.28 113.32 11.17 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 121.388 0.613 . . . . 25.0 109.921 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.4 p -64.32 160.03 53.54 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.792 1.237 . . . . 25.0 108.801 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.18 80.01 3.0 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 CA-C-O 122.52 0.967 . . . . 25.0 113.725 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 114.747 -2.549 . . . . 25.0 108.884 179.481 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.186 -2.885 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.17 -42.38 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 117.65 -1.167 . . . . 25.0 109.0 178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.14 -54.43 34.45 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 124.476 1.11 . . . . 25.0 109.305 -175.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 120.635 -1.291 . . . . 25.0 112.936 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -66.17 -42.71 88.59 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.3 t -66.7 -49.77 65.01 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 123.985 0.803 . . . . 25.0 110.384 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.44 -51.14 69.94 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 116.059 1.874 . . . . 25.0 116.059 -171.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.12 28.74 0.5 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.879 0.847 . . . . 25.0 112.609 -175.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 t -160.25 -172.16 3.48 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 113.163 -1.835 . . . . 25.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.86 118.84 17.35 Favored 'Isoleucine or valine' 0 C--O 1.248 1.006 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 172.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.86 113.64 12.4 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.489 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -69.71 147.01 51.1 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 122.378 1.085 . . . . 25.0 108.178 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.78 -41.16 90.51 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 115.267 -0.879 . . . . 25.0 111.876 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -75.0 -20.55 59.6 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.546 -1.262 . . . . 25.0 109.968 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.16 -43.85 63.99 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 105.57 -2.011 . . . . 25.0 105.57 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.36 -51.16 64.69 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.91 -25.8 67.01 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 117.787 -1.101 . . . . 25.0 112.054 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.44 -20.13 58.75 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -83.51 -20.52 33.79 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 120.819 -1.176 . . . . 25.0 113.027 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -78.75 136.91 37.52 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--O 1.275 2.41 0 CA-C-O 117.833 -1.08 . . . . 25.0 111.192 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 33.1 t80 . . . . . 0 N--CA 1.504 2.248 0 CA-C-O 117.929 -1.034 . . . . 25.0 111.786 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 65.6 t -114.89 116.83 53.76 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.003 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -78.77 32.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 117.823 2.527 . . . . 25.0 117.823 -172.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -77.12 55.69 1.19 Allowed 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.785 1.402 . . . . 25.0 114.785 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 m80 65.22 -66.72 0.14 Allowed 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 126.291 1.836 . . . . 25.0 113.882 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.73 27.37 8.67 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.985 2.217 . . . . 25.0 116.985 170.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.3 -4.39 17.87 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 115.244 1.572 . . . . 25.0 115.244 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.95 -152.81 26.32 Favored Glycine 0 C--O 1.25 1.129 0 N-CA-C 110.362 -1.095 . . . . 25.0 110.362 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m -61.27 -18.46 58.53 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.236 -1.155 . . . . 25.0 112.56 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -58.75 -19.8 43.67 Favored 'General case' 0 CA--C 1.565 1.553 0 C-N-CA 120.021 -0.671 . . . . 25.0 112.269 172.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -36.54 82.37 Favored 'General case' 0 C--O 1.207 -1.181 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.2 -45.43 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-O 121.811 0.815 . . . . 25.0 109.09 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -67.45 -36.92 82.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-O 118.804 -0.617 . . . . 25.0 110.493 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.31 83.52 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.78 -46.16 91.56 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 123.995 0.81 . . . . 25.0 109.796 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -61.6 -45.17 95.25 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.129 0.788 . . . . 25.0 113.129 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.5 mt -73.06 -39.86 65.55 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -86.41 -53.53 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 124.308 1.005 . . . . 25.0 112.855 -174.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.18 -37.59 88.0 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 120.572 1.533 . . . . 25.0 109.927 176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.02 -64.18 3.75 Favored Glycine 0 N--CA 1.465 0.614 0 CA-C-O 122.957 1.31 . . . . 25.0 114.855 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -82.39 42.53 0.76 Allowed 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.342 1.057 . . . . 25.0 112.276 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 52.82 25.41 3.86 Favored 'General case' 0 N--CA 1.507 2.403 0 N-CA-C 116.759 2.133 . . . . 25.0 116.759 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.21 53.22 3.06 Favored Glycine 0 CA--C 1.484 -1.878 0 N-CA-C 115.719 1.048 . . . . 25.0 115.719 -177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.69 -33.53 0.08 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 118.314 1.057 . . . . 25.0 109.897 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.8 t80 53.68 95.3 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 115.537 1.68 . . . . 25.0 115.537 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 36.9 p -65.45 149.22 97.43 Favored Pre-proline 0 CA--C 1.556 1.204 0 O-C-N 119.229 -2.169 . . . . 25.0 108.333 172.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.1 136.68 66.62 Favored 'Trans proline' 0 C--O 1.266 1.894 0 N-CA-C 118.256 2.368 . . . . 25.0 118.256 -169.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 41.4 m . . . . . 0 C--N 1.376 1.734 0 CA-C-O 116.065 -1.922 . . . . 25.0 105.977 -178.23 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 117.545 -1.697 . . . . 25.0 112.797 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.9 tt -142.87 -37.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-N 118.789 1.295 . . . . 25.0 113.537 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.51 -39.1 80.13 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 C-N-CA 119.995 -0.682 . . . . 25.0 111.243 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -39.59 67.7 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 177.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -76.27 -44.2 38.34 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.819 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.61 -24.1 66.47 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-O 122.924 1.345 . . . . 25.0 111.058 178.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -79.92 -72.27 0.41 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.008 -0.996 . . . . 25.0 111.745 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.93 13.06 0.22 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 116.535 2.05 . . . . 25.0 116.535 -172.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -160.33 -179.14 7.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.138 -0.976 . . . . 25.0 113.092 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -71.98 118.94 17.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.52 121.89 19.49 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.72 -1.238 . . . . 25.0 110.944 -171.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -64.05 147.69 51.54 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 121.477 -0.764 . . . . 25.0 109.594 -177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.55 -39.93 92.88 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 112.764 0.653 . . . . 25.0 112.764 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -70.83 -34.31 71.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 C-N-CA 119.604 -0.839 . . . . 25.0 109.593 -178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.89 -40.71 95.52 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 121.229 -0.919 . . . . 25.0 111.185 172.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -42.76 86.6 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 118.909 -1.116 . . . . 25.0 109.48 -177.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.66 -30.26 70.61 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.24 -15.55 63.28 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 114.584 1.327 . . . . 25.0 114.584 177.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.14 -16.19 57.01 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 123.561 0.538 . . . . 25.0 111.708 174.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.6 t -98.8 163.12 12.75 Favored 'General case' 0 C--O 1.193 -1.901 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -177.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 . . . . . 0 C--O 1.262 1.742 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 177.63 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 C--O 1.26 1.632 0 N-CA-C 111.451 0.167 . . . . 25.0 111.451 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.03 108.14 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.86 130.08 42.13 Favored 'General case' 0 CA--C 1.497 -1.072 0 CA-C-N 114.518 -1.219 . . . . 25.0 109.438 -177.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.13 166.27 30.3 Favored 'General case' 0 C--O 1.26 1.622 0 CA-C-N 114.492 -1.231 . . . . 25.0 109.686 -176.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -68.99 129.14 39.08 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 104.224 -2.51 . . . . 25.0 104.224 165.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.0 mt -119.18 41.44 3.08 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 123.229 1.49 . . . . 25.0 114.341 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.14 75.95 8.1 Favored 'General case' 0 CA--C 1.583 2.225 0 O-C-N 119.616 -1.927 . . . . 25.0 113.228 177.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.81 -156.85 26.95 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 -177.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -11.62 56.62 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 116.429 2.011 . . . . 25.0 116.429 178.151 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -68.1 -19.99 64.89 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 119.847 -1.783 . . . . 25.0 109.113 176.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.53 -39.93 94.68 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 175.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 47.0 t -64.84 -43.35 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 119.946 -0.702 . . . . 25.0 110.048 -178.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.79 -35.97 81.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.587 0.708 . . . . 25.0 110.4 -177.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.31 75.96 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.44 -42.46 96.15 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.974 -0.536 . . . . 25.0 111.899 173.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.71 -44.18 73.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 121.335 0.588 . . . . 25.0 111.344 178.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.4 mt -71.17 -44.13 66.1 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 121.529 -0.732 . . . . 25.0 111.036 -178.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.0 -44.91 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 CA-C-O 117.677 -1.154 . . . . 25.0 112.444 -176.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 30.0 m -76.82 -1.4 28.07 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-N 119.575 1.08 . . . . 25.0 110.075 176.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.27 -59.15 2.32 Favored Glycine 0 CA--C 1.487 -1.666 0 CA-C-O 118.473 -1.182 . . . . 25.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.32 -31.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 125.08 1.106 . . . . 25.0 110.82 172.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.74 158.13 45.16 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 121.203 -0.936 . . . . 25.0 110.505 -175.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.22 0.22 5.1 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 114.878 0.711 . . . . 25.0 114.878 -177.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -125.34 -19.84 4.97 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.0 t80 48.87 92.25 0.02 OUTLIER 'General case' 0 C--O 1.238 0.462 0 N-CA-C 117.153 2.279 . . . . 25.0 117.153 179.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 44.5 p -78.42 167.09 38.21 Favored Pre-proline 0 C--N 1.386 2.185 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 174.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -70.57 142.58 44.7 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 115.965 -2.223 . . . . 25.0 113.116 177.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.892 2.077 . . . . 25.0 109.013 -176.884 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.76 0 CA-C-O 117.939 -1.478 . . . . 25.0 113.167 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -111.02 -33.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 122.037 0.922 . . . . 25.0 111.375 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.38 -52.06 36.46 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.951 0 C-N-CA 119.284 -0.966 . . . . 25.0 112.344 -172.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -56.31 -34.48 66.56 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.661 0.743 . . . . 25.0 112.74 175.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -70.97 -41.49 70.96 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 114.416 1.265 . . . . 25.0 114.416 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -20.97 51.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 113.482 0.919 . . . . 25.0 113.482 174.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -39.74 82.07 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 168.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -81.09 29.31 0.34 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 118.915 0.78 . . . . 25.0 110.583 177.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -156.84 171.43 20.42 Favored 'General case' 0 C--O 1.196 -1.734 0 N-CA-C 117.926 2.565 . . . . 25.0 117.926 -172.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mm -81.38 -35.5 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 122.164 0.983 . . . . 25.0 108.349 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.1 m 61.01 132.68 0.01 OUTLIER 'General case' 0 C--O 1.26 1.628 0 N-CA-C 116.957 2.206 . . . . 25.0 116.957 -174.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -82.39 150.69 27.0 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.13 -43.57 78.35 Favored 'General case' 0 C--O 1.198 -1.655 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -177.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.73 -19.55 61.36 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 119.372 -0.931 . . . . 25.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.55 -34.95 53.66 Favored 'General case' 0 C--O 1.207 -1.179 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.055 175.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -47.78 84.4 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 106.824 -1.547 . . . . 25.0 106.824 170.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -65.88 -27.1 67.96 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 119.95 -0.7 . . . . 25.0 112.25 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -68.69 -13.82 62.62 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 114.321 1.23 . . . . 25.0 114.321 176.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -75.47 -31.97 60.43 Favored 'General case' 0 C--O 1.196 -1.733 0 O-C-N 124.514 1.134 . . . . 25.0 109.399 170.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -77.44 132.94 38.71 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 121.758 0.79 . . . . 25.0 112.092 -176.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.59 -1.195 . . . . 25.0 110.926 174.418 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.1 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 115.519 -2.181 . . . . 25.0 112.488 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.3 t 71.99 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 124.655 1.222 . . . . 25.0 113.733 -172.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -70.64 124.74 24.97 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 118.215 -0.897 . . . . 25.0 111.462 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -143.31 22.24 1.87 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.27 0.981 . . . . 25.0 113.573 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 58.23 5.5 0.42 Allowed 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 mt 50.98 -158.33 0.1 Allowed 'General case' 0 N--CA 1.415 -2.192 0 N-CA-C 118.237 2.68 . . . . 25.0 118.237 168.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.08 173.25 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.562 0.745 . . . . 25.0 111.813 -177.203 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.91 72.11 Favored Glycine 0 N--CA 1.474 1.232 0 O-C-N 119.404 -2.06 . . . . 25.0 112.643 -176.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p 73.0 -3.01 2.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 -174.25 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -74.98 -14.34 60.61 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 119.991 -1.693 . . . . 25.0 112.298 171.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.54 -38.97 81.29 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 120.167 -1.583 . . . . 25.0 108.304 175.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' B' ' 26' ' ' NVA . 34.7 t -65.01 -41.64 92.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-N 115.451 -0.795 . . . . 25.0 109.03 178.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -63.4 -47.15 83.2 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.389 -0.823 . . . . 25.0 111.995 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.238 -0.914 . . . . 25.0 111.181 175.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -65.29 -40.32 93.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.962 -1.017 . . . . 25.0 109.677 -176.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.25 -37.63 85.96 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 111.533 0.197 . . . . 25.0 111.533 176.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -74.48 -32.55 62.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.29 -50.77 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.171 -0.956 . . . . 25.0 112.289 -175.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 92.5 m -110.99 -15.12 13.82 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 -175.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.27 -164.92 53.68 Favored Glycine 0 C--N 1.304 -1.214 0 O-C-N 120.992 -1.068 . . . . 25.0 111.771 -174.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.09 -4.64 22.13 Favored 'General case' 0 C--O 1.201 -1.474 0 O-C-N 121.983 -0.716 . . . . 25.0 111.862 -179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.47 -25.64 64.18 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 121.64 -0.662 . . . . 25.0 111.373 174.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.65 -77.81 1.23 Allowed Glycine 0 CA--C 1.496 -1.117 0 CA-C-O 122.989 1.327 . . . . 25.0 115.509 -175.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -91.49 158.75 16.3 Favored 'General case' 0 C--O 1.209 -1.05 0 O-C-N 121.841 -0.8 . . . . 25.0 112.852 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -129.14 113.96 15.73 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 123.281 1.515 . . . . 25.0 109.135 163.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . 0.435 ' HD3' HG11 ' B' ' 12' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 15.8 p -61.17 149.25 82.97 Favored Pre-proline 0 N--CA 1.483 1.177 0 N-CA-C 108.196 -1.038 . . . . 25.0 108.196 176.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -68.71 95.92 0.49 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 N-CA-C 118.008 2.272 . . . . 25.0 118.008 -173.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.26 1.609 0 CA-C-N 113.553 -1.658 . . . . 25.0 110.584 -176.863 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.197 -2.197 0 CA-C-O 118.501 -1.166 . . . . 25.0 111.842 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -139.95 -31.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.5 t -57.97 -66.79 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 115.393 1.627 . . . . 25.0 115.393 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.77 -40.95 94.42 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.995 0.902 . . . . 25.0 113.051 176.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -48.87 70.1 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.805 -0.559 . . . . 25.0 112.187 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -43.65 77.4 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 113.818 1.044 . . . . 25.0 113.818 173.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -42.57 83.57 Favored 'General case' 0 C--O 1.2 -1.55 0 N-CA-C 114.856 1.428 . . . . 25.0 114.856 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.58 22.42 0.58 Allowed 'General case' 0 C--O 1.253 1.284 0 C-N-CA 123.827 0.851 . . . . 25.0 110.961 -176.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -165.24 173.25 11.49 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 122.712 1.244 . . . . 25.0 112.119 -176.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 mm -79.42 113.4 18.72 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 N-CA-C 103.053 -2.943 . . . . 25.0 103.053 177.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -70.74 127.36 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.764 -0.653 . . . . 25.0 112.35 -176.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -76.75 155.23 33.35 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 116.278 -0.419 . . . . 25.0 112.092 174.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.03 -48.96 77.26 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -62.21 -37.21 84.46 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 122.478 1.132 . . . . 25.0 113.672 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.43 -41.56 93.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.335 -1.302 . . . . 25.0 112.18 177.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.0 -38.87 79.52 Favored 'General case' 0 CA--C 1.561 1.402 0 O-C-N 125.228 1.58 . . . . 25.0 112.342 176.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -61.88 -34.44 76.03 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.438 0.563 . . . . 25.0 111.769 173.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.64 -17.83 49.65 Favored 'General case' 0 CA--C 1.591 2.528 0 CA-C-O 120.537 0.208 . . . . 25.0 111.335 176.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -79.82 -18.07 51.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 118.837 -1.145 . . . . 25.0 111.381 173.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.33 155.55 24.71 Favored 'General case' 0 C--O 1.253 1.243 0 N-CA-C 113.101 0.778 . . . . 25.0 113.101 -175.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.646 ' H ' ' HA2' ' B' ' 23' ' ' GLY . 77.7 m-20 . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 119.037 -0.506 . . . . 25.0 111.11 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 117.966 -1.016 . . . . 25.0 110.228 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 78.42 139.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 125.516 1.76 . . . . 25.0 108.169 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.35 127.72 33.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.561 -173.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.25 159.45 41.31 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.474 0.71 . . . . 25.0 111.042 -179.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.5 142.39 40.93 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 100.643 -3.836 . . . . 25.0 100.643 166.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 10' ' ' HIS . 60.5 mt -111.47 -7.66 14.33 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 -176.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -20.46 65.98 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -172.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.86 42.78 2.09 Favored Glycine 0 C--O 1.224 -0.527 0 N-CA-C 114.667 0.627 . . . . 25.0 114.667 178.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t 72.04 -2.75 2.44 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.665 1.697 . . . . 25.0 113.078 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' B' ' 6' ' ' LEU . 21.2 m170 -69.27 -14.1 62.76 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.012 177.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.02 -32.71 74.13 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.165 178.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -71.55 -43.36 71.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 106.581 -1.637 . . . . 25.0 106.581 -177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.13 -46.3 89.64 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 123.254 1.502 . . . . 25.0 111.601 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.68 -51.38 69.74 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.254 -0.885 . . . . 25.0 111.332 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 32.0 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 118.697 -0.668 . . . . 25.0 110.951 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -59.13 -41.99 89.54 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 123.069 1.414 . . . . 25.0 109.813 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.08 -49.82 58.84 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.409 -1.432 . . . . 25.0 112.778 179.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.78 -38.7 30.12 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.388 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 -170.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -154.21 40.07 0.47 Allowed 'General case' 0 C--N 1.363 1.161 0 O-C-N 121.242 -0.911 . . . . 25.0 112.578 -176.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.29 -21.9 76.02 Favored Glycine 0 C--O 1.218 -0.894 0 O-C-N 120.805 -1.184 . . . . 25.0 110.976 -178.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -64.61 -37.96 89.35 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.821 -0.752 . . . . 25.0 111.01 174.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -158.88 90.96 1.02 Allowed 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 -175.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' H ' ' A' ' 21' ' ' ASN . . . -170.64 -40.22 0.03 OUTLIER Glycine 0 C--N 1.338 0.674 0 C-N-CA 117.619 -2.229 . . . . 25.0 116.109 -179.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 5.1 p90 -151.42 167.87 26.6 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 119.376 -0.93 . . . . 25.0 110.354 -176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -103.63 118.96 37.93 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 175.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -68.17 154.15 94.41 Favored Pre-proline 0 N--CA 1.491 1.586 0 N-CA-C 102.886 -3.005 . . . . 25.0 102.886 176.139 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.96 139.87 69.89 Favored 'Trans proline' 0 C--O 1.199 -1.451 0 O-C-N 122.606 0.793 . . . . 25.0 113.571 -173.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 114.844 -2.503 . . . . 25.0 109.483 -174.755 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.055 0 CA-C-O 115.824 -2.653 . . . . 25.0 110.832 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.6 tt -151.88 -21.68 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.437 0 CA-C-N 120.899 2.35 . . . . 25.0 113.839 178.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.81 -46.27 61.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 O-C-N 120.592 -1.317 . . . . 25.0 110.446 -173.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.47 -46.27 86.96 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.456 1.122 . . . . 25.0 112.179 175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.26 -33.34 73.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.07 -1.423 . . . . 25.0 112.462 179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.2 t -74.18 -40.72 62.35 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-O 121.662 0.744 . . . . 25.0 109.76 175.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -28.02 68.81 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 176.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 p -76.22 89.06 3.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 119.412 1.006 . . . . 25.0 110.407 -177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.0 t 80.79 -140.53 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.902 0 O-C-N 126.038 2.086 . . . . 25.0 107.922 176.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.5 mm -66.55 126.36 25.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 115.257 -0.883 . . . . 25.0 111.341 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -30.68 71.08 Favored 'General case' 0 C--O 1.206 -1.202 0 O-C-N 124.207 0.942 . . . . 25.0 113.496 -177.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m 69.31 132.12 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 117.289 2.329 . . . . 25.0 117.289 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -57.89 -40.58 80.62 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 114.487 -1.233 . . . . 25.0 113.522 -175.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -72.3 -30.69 65.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.146 0.974 . . . . 25.0 111.424 -176.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -71.38 -39.79 70.99 Favored 'General case' 0 C--O 1.186 -2.259 0 O-C-N 120.338 -1.476 . . . . 25.0 109.39 175.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.86 -39.82 94.16 Favored 'General case' 0 C--O 1.185 -2.317 0 CA-C-O 118.088 -0.958 . . . . 25.0 110.954 176.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 119.374 0.988 . . . . 25.0 110.285 175.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -63.02 -22.21 66.7 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-N 118.953 0.797 . . . . 25.0 110.864 179.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -80.28 -22.12 41.96 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.173 0.897 . . . . 25.0 110.054 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 m -72.68 159.92 33.06 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 121.034 -1.041 . . . . 25.0 109.63 -176.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--N 1.31 -1.127 0 CA-C-O 117.877 -1.059 . . . . 25.0 112.949 -179.292 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 CA--C 1.499 -1.01 0 N-CA-C 112.418 0.525 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 72.41 129.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.187 -2.186 0 O-C-N 126.262 2.226 . . . . 25.0 107.414 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 132.86 54.26 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 -173.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.17 162.21 15.03 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 114.682 -1.145 . . . . 25.0 110.564 -174.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -85.72 132.38 34.15 Favored 'General case' 0 CA--C 1.487 -1.479 0 O-C-N 123.452 0.47 . . . . 25.0 109.878 178.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.47 105.28 7.75 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 -176.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -128.96 -23.08 3.11 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 120.454 -0.498 . . . . 25.0 111.916 171.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.98 -158.85 33.77 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 117.951 -2.071 . . . . 25.0 109.993 -176.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -67.58 -6.52 20.51 Favored 'General case' 0 C--O 1.253 1.286 0 C-N-CA 118.246 -1.382 . . . . 25.0 113.299 173.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.43 -21.49 62.33 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 122.817 1.294 . . . . 25.0 108.829 173.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.49 -31.84 73.11 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.875 1.321 . . . . 25.0 108.407 -179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.83 -39.38 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 O-C-N 120.295 -1.503 . . . . 25.0 108.64 179.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.07 -34.5 76.54 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 123.468 1.604 . . . . 25.0 111.219 177.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.27 -46.67 89.4 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 122.987 1.375 . . . . 25.0 109.479 -178.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.65 -29.53 62.39 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.78 -1.555 . . . . 25.0 111.769 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -61.51 -39.66 91.79 Favored 'General case' 0 C--O 1.194 -1.816 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 175.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -84.54 -33.41 23.47 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 112.597 0.591 . . . . 25.0 112.597 -177.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.55 -44.75 29.54 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 O-C-N 123.574 0.546 . . . . 25.0 111.824 -177.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.5 m -75.83 -23.05 55.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 120.198 1.363 . . . . 25.0 110.275 176.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.33 -77.62 2.09 Favored Glycine 0 C--N 1.347 1.146 0 C-N-CA 120.154 -1.022 . . . . 25.0 111.012 177.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 21' ' ' GLU . 5.0 pt-20 -92.04 37.15 0.97 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 124.508 1.123 . . . . 25.0 109.511 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 66.92 177.03 0.24 Allowed 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 126.509 1.923 . . . . 25.0 112.385 177.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.1 43.86 0.02 OUTLIER Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 -172.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -156.8 165.3 36.61 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 120.469 -1.606 . . . . 25.0 107.573 -175.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -88.51 -59.85 2.12 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.484 178.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -61.01 152.0 72.52 Favored Pre-proline 0 N--CA 1.488 1.431 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 177.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.47 140.32 68.88 Favored 'Trans proline' 0 C--N 1.361 1.205 1 C-N-CA 112.642 -4.438 . . . . 25.0 114.598 -171.194 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.367 1.364 0 N-CA-C 104.971 -2.233 . . . . 25.0 104.971 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 117.039 -1.978 . . . . 25.0 111.895 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 tt -137.88 -36.87 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.657 0 CA-C-N 118.415 1.107 . . . . 25.0 112.366 -179.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -76.46 -46.87 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 123.1 1.429 . . . . 25.0 111.089 -177.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -63.59 -36.86 85.19 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.667 -1.271 . . . . 25.0 108.168 175.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.62 -40.55 87.94 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 115.102 -0.954 . . . . 25.0 109.948 -178.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.5 m -90.5 -13.53 34.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.199 1.0 . . . . 25.0 111.08 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 m -80.66 -56.59 4.05 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-N 120.949 1.704 . . . . 25.0 110.419 171.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.6 p -77.66 9.06 3.68 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -170.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 m -160.55 175.94 12.16 Favored 'General case' 0 N--CA 1.427 -1.614 0 C-N-CA 120.197 -0.601 . . . . 25.0 109.434 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.66 129.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 C-N-CA 120.108 -0.637 . . . . 25.0 110.489 173.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -82.91 113.97 20.88 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 121.246 0.546 . . . . 25.0 110.296 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 143.6 53.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.045 -0.98 . . . . 25.0 108.53 -178.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.9 -29.56 69.65 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -173.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.97 -34.92 64.41 Favored 'General case' 0 C--O 1.199 -1.556 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 178.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -78.16 -21.78 49.7 Favored 'General case' 0 C--O 1.196 -1.719 0 CA-C-O 122.395 1.093 . . . . 25.0 110.406 -177.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.593 HD13 HG21 ' B' ' 18' ' ' VAL . 2.7 tt -71.38 -48.63 48.79 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 115.508 -0.769 . . . . 25.0 111.279 173.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.85 -31.12 70.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 117.99 -1.005 . . . . 25.0 110.078 171.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.58 -13.84 6.7 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 171.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.39 -28.52 41.85 Favored 'General case' 0 CA--C 1.559 1.296 0 O-C-N 119.936 -1.727 . . . . 25.0 111.173 173.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.5 m -89.59 154.93 19.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 119.46 -2.025 . . . . 25.0 108.641 -172.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 105.809 -1.922 . . . . 25.0 105.809 -178.079 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.209 -1.037 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.33 136.8 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 106.144 -1.799 . . . . 25.0 106.144 176.376 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.37 114.15 4.59 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.695 -1.253 . . . . 25.0 113.071 -177.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -155.33 160.51 40.8 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 119.03 0.832 . . . . 25.0 110.506 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -72.11 143.01 49.16 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 178.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.2 mt -114.68 75.33 0.92 Allowed 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 115.07 1.507 . . . . 25.0 115.07 -175.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 155.37 39.7 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 173.47 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.91 -148.0 45.67 Favored Glycine 0 CA--C 1.494 -1.246 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 -175.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 m -63.82 -14.39 52.59 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 118.714 -0.66 . . . . 25.0 112.619 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -63.27 -30.73 71.81 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 118.554 0.616 . . . . 25.0 110.697 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.58 -43.72 79.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.573 -0.851 . . . . 25.0 109.798 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.24 -45.1 99.28 Favored 'Isoleucine or valine' 0 C--O 1.251 1.166 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 175.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.77 -39.73 92.69 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 122.307 1.051 . . . . 25.0 111.201 -179.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.59 -47.85 77.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.954 -1.091 . . . . 25.0 113.383 177.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 24' ' ' PHE . 4.0 mm? -60.23 -41.48 93.18 Favored 'General case' 0 C--O 1.258 1.547 0 O-C-N 121.216 -0.928 . . . . 25.0 111.39 178.19 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -56.68 -48.88 76.65 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.381 173.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.4 mt -70.77 -43.79 68.02 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 -174.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.593 HG21 HD13 ' A' ' 16' ' ' LEU . 59.6 t -76.95 -47.74 26.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 113.876 1.065 . . . . 25.0 113.876 -174.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -93.34 -16.86 24.21 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.331 1.974 . . . . 25.0 116.331 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.61 31.21 80.14 Favored Glycine 0 N--CA 1.471 1.012 0 N-CA-C 115.638 1.015 . . . . 25.0 115.638 173.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 73.8 -4.14 2.33 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 128.125 2.57 . . . . 25.0 114.159 -170.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -82.45 58.54 4.18 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.083 -1.011 . . . . 25.0 111.491 -176.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.25 -63.43 0.23 Allowed Glycine 0 C--O 1.218 -0.897 0 C-N-CA 119.35 -1.405 . . . . 25.0 114.902 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.479 ' HB3' HD12 ' B' ' 15' ' ' LEU . 5.7 p90 -81.95 161.25 23.13 Favored 'General case' 0 C--O 1.193 -1.899 0 O-C-N 121.01 -1.288 . . . . 25.0 112.022 176.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.79 106.11 4.4 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 107.804 -1.184 . . . . 25.0 107.804 -175.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' B' ' 28' ' ' PRO . 43.7 p 65.04 162.55 0.12 Allowed Pre-proline 0 C--N 1.381 1.937 0 C-N-CA 127.603 2.361 . . . . 25.0 112.181 -178.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' B' ' 27' ' ' THR . 88.9 Cg_endo -78.82 97.91 1.16 Allowed 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 115.232 -2.712 . . . . 25.0 116.244 -172.072 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.253 1.243 0 O-C-N 125.736 1.897 . . . . 25.0 108.256 179.119 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.362 0 CA-C-O 119.271 -0.738 . . . . 25.0 111.953 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -95.13 -42.13 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -177.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -57.04 -56.58 13.98 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.6 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 -168.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.41 -41.44 98.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.798 -0.445 . . . . 25.0 109.798 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.81 -35.48 72.93 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.879 0.696 . . . . 25.0 112.879 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t -73.83 -54.6 7.64 Favored 'General case' 0 C--O 1.183 -2.407 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 176.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 9' ' ' SER . 42.2 m -69.33 -29.31 67.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 117.54 2.422 . . . . 25.0 117.54 -169.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -74.88 15.63 0.37 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.338 -1.476 . . . . 25.0 108.734 -177.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.514 ' H ' ' C ' ' A' ' 7' ' ' CYS . 5.6 t -167.22 -168.33 1.05 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 -177.3 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.0 mm -88.3 118.59 34.16 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-O 118.152 -0.927 . . . . 25.0 111.44 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.39 132.64 45.11 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 123.673 0.608 . . . . 25.0 112.316 174.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -92.5 162.12 14.34 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 178.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.72 -42.03 78.5 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.48 71.02 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.114 -0.366 . . . . 25.0 110.859 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -69.19 -32.21 71.35 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.5 -43.69 72.62 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 109.127 -0.694 . . . . 25.0 109.127 175.164 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.99 -30.21 67.79 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 -179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.32 -17.7 44.65 Favored 'General case' 0 CA--C 1.573 1.835 0 N-CA-C 114.81 1.411 . . . . 25.0 114.81 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.45 -20.54 36.73 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.491 -0.777 . . . . 25.0 110.714 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -96.79 158.99 15.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 123.785 0.678 . . . . 25.0 110.273 -170.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.795 -0.638 . . . . 25.0 109.318 -178.469 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.201 -1.46 0 CA-C-O 118.598 -0.715 . . . . 25.0 111.433 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.32 124.03 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.4 1.48 . . . . 25.0 108.87 -172.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.3 150.97 43.08 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -172.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.72 174.77 13.46 Favored 'General case' 0 C--O 1.254 1.301 0 CA-C-N 115.461 -0.79 . . . . 25.0 109.001 -176.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -78.26 -11.96 59.97 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 124.754 1.284 . . . . 25.0 110.777 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.5 -54.39 0.09 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 120.383 3.475 . . . . 25.0 120.383 177.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -59.24 134.6 57.14 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 120.266 1.394 . . . . 25.0 108.738 -177.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.55 51.84 0.69 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.649 -1.38 . . . . 25.0 109.649 -171.09 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.8 p 64.64 -30.97 0.12 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 118.884 2.92 . . . . 25.0 118.884 -176.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -58.9 -17.35 23.45 Favored 'General case' 0 C--O 1.19 -2.046 0 O-C-N 120.2 -1.562 . . . . 25.0 114.869 173.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.93 -34.93 77.55 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.412 -1.43 . . . . 25.0 108.514 -178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.87 -41.18 60.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 CA-C-O 121.85 0.833 . . . . 25.0 109.201 -176.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -66.36 -40.7 89.95 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.029 -0.987 . . . . 25.0 110.924 179.123 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 -52.06 65.68 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.498 1.119 . . . . 25.0 110.912 176.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.23 -34.77 79.15 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 -176.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -67.84 -38.03 82.63 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 123.564 1.649 . . . . 25.0 112.024 176.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.0 mt -69.94 -30.07 67.37 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 120.445 -1.409 . . . . 25.0 113.974 175.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -95.91 -45.66 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -175.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -81.22 -24.63 37.28 Favored 'General case' 0 CA--C 1.52 -0.18 0 O-C-N 121.258 -0.901 . . . . 25.0 110.596 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.22 -130.55 10.26 Favored Glycine 0 C--O 1.225 -0.437 0 CA-C-O 122.872 1.262 . . . . 25.0 112.266 -179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.83 -41.27 77.56 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 120.936 -1.331 . . . . 25.0 112.468 -172.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -161.61 165.39 28.42 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.217 -1.771 . . . . 25.0 106.217 -170.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 150.13 21.43 0.07 OUTLIER Glycine 0 C--O 1.202 -1.883 0 CA-C-O 117.277 -1.846 . . . . 25.0 115.845 170.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -134.62 -35.11 0.9 Allowed 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 115.951 1.834 . . . . 25.0 115.951 -178.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 19.9 t80 51.78 91.78 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.215 1.806 . . . . 25.0 113.657 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 171.73 168.39 0.22 Allowed Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 130.531 3.532 . . . . 25.0 102.076 -179.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.12 113.98 3.92 Favored 'Trans proline' 0 C--N 1.368 1.593 0 C-N-CA 114.003 -3.532 . . . . 25.0 111.593 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.261 1.702 0 C-N-CA 127.913 2.485 . . . . 25.0 107.512 -179.27 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 115.344 -2.92 . . . . 25.0 109.746 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.34 -38.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 121.44 2.62 . . . . 25.0 112.905 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.8 t -69.94 -43.97 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.889 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -66.67 -28.65 68.62 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 118.18 -0.914 . . . . 25.0 109.489 177.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -69.61 -42.78 73.93 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 119.22 0.918 . . . . 25.0 110.13 177.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.04 -43.52 92.1 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-O 123.934 1.825 . . . . 25.0 112.635 175.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.98 -56.77 11.23 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.815 -1.178 . . . . 25.0 112.202 -174.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.8 27.34 0.54 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 120.184 -0.606 . . . . 25.0 110.775 -173.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -157.27 -179.06 7.83 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 107.745 -1.206 . . . . 25.0 107.745 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 mm -66.1 117.36 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 107.857 -1.164 . . . . 25.0 107.857 168.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.12 144.29 56.78 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 120.009 1.277 . . . . 25.0 110.975 176.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -114.36 138.82 50.06 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 120.871 -1.143 . . . . 25.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.18 -48.11 65.18 Favored 'General case' 0 C--O 1.2 -1.514 0 C-N-CA 122.31 0.244 . . . . 25.0 110.939 -175.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -72.94 -27.03 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.09 -0.481 . . . . 25.0 111.056 -171.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.94 -37.19 62.06 Favored 'General case' 0 C--O 1.189 -2.109 0 O-C-N 124.151 0.907 . . . . 25.0 108.98 177.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.31 -41.16 96.98 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 174.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 119.291 -0.964 . . . . 25.0 111.413 174.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.95 -22.31 62.31 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 178.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.43 -27.19 56.15 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 113.511 0.93 . . . . 25.0 113.511 174.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.0 m -82.85 156.58 23.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 122.803 1.287 . . . . 25.0 110.449 -175.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.259 1.604 0 CA-C-O 116.806 -1.569 . . . . 25.0 107.416 -177.771 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.8 t80 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.061 -0.971 . . . . 25.0 111.348 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.3 125.27 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 106.284 -1.747 . . . . 25.0 106.284 178.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.85 99.56 4.5 Favored 'General case' 0 N--CA 1.439 -1.0 0 C-N-CA 119.524 -0.87 . . . . 25.0 110.99 -174.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -160.7 179.54 8.46 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.056 -1.028 . . . . 25.0 108.827 -174.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -80.44 124.4 28.88 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -138.66 130.33 27.7 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 105.173 -2.158 . . . . 25.0 105.173 176.047 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 23.4 t -151.87 156.69 40.65 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.648 -1.241 . . . . 25.0 107.648 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.7 -126.35 12.38 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-O 122.675 1.153 . . . . 25.0 112.27 172.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -58.01 -32.17 67.67 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.344 -1.092 . . . . 25.0 109.623 175.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 -15.32 59.29 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 121.505 0.669 . . . . 25.0 111.529 -177.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tp -77.83 -33.48 52.31 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 118.188 -1.405 . . . . 25.0 108.605 178.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.53 -43.46 96.94 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.193 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -65.12 -35.96 82.77 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 124.122 0.889 . . . . 25.0 113.085 175.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.61 75.46 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 120.959 -1.088 . . . . 25.0 112.613 177.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.37 -35.42 77.68 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.862 -0.608 . . . . 25.0 109.866 -178.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.23 -47.64 84.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.296 1.046 . . . . 25.0 108.653 178.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.23 -32.63 70.58 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 115.986 1.847 . . . . 25.0 115.986 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -80.82 -43.31 20.94 Favored 'Isoleucine or valine' 0 C--O 1.246 0.872 0 N-CA-C 113.895 1.072 . . . . 25.0 113.895 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -117.81 9.45 12.95 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 118.43 -1.308 . . . . 25.0 113.457 -171.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.29 31.39 77.1 Favored Glycine 0 C--O 1.195 -2.322 0 C-N-CA 121.028 -0.606 . . . . 25.0 113.616 176.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 71.18 -23.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 126.135 1.774 . . . . 25.0 114.359 -176.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -60.5 -25.93 66.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.142 -0.935 . . . . 25.0 112.753 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.13 -3.24 67.84 Favored Glycine 0 C--O 1.216 -0.981 0 N-CA-C 116.986 1.554 . . . . 25.0 116.986 -174.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -146.78 158.7 43.97 Favored 'General case' 0 C--O 1.248 1.016 0 N-CA-C 115.629 1.714 . . . . 25.0 115.629 -176.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -112.49 136.82 51.54 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-N 114.803 -1.089 . . . . 25.0 109.97 174.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -63.91 140.66 97.9 Favored Pre-proline 0 N--CA 1.427 -1.595 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -71.17 108.57 2.37 Favored 'Trans proline' 0 CA--C 1.5 -1.211 0 N-CA-C 117.108 1.926 . . . . 25.0 117.108 -163.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.354 0.796 0 CA-C-N 112.776 -2.011 . . . . 25.0 108.959 175.513 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.394 0 CA-C-O 117.419 -1.767 . . . . 25.0 112.552 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.2 tt -136.95 -44.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-N 119.274 1.537 . . . . 25.0 114.286 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -57.16 -51.59 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 119.277 -2.14 . . . . 25.0 116.52 -177.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.52 -39.63 94.12 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.761 0.791 . . . . 25.0 109.708 -177.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -70.9 -26.48 63.24 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 121.814 -0.554 . . . . 25.0 112.311 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.3 t -80.56 -41.5 24.0 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -176.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.0 m -66.76 -35.14 79.4 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.253 1.205 . . . . 25.0 114.253 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -85.18 27.49 0.79 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.662 -0.649 . . . . 25.0 110.61 179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -162.85 -174.6 3.99 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 124.803 1.315 . . . . 25.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mm -82.93 120.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 170.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.6 m -72.72 129.87 39.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 m -76.22 150.89 36.99 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 175.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.5 -40.16 74.5 Favored 'General case' 0 C--O 1.192 -1.958 0 N-CA-C 114.136 1.161 . . . . 25.0 114.136 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.68 -31.98 65.45 Favored 'General case' 0 C--O 1.189 -2.12 0 O-C-N 120.742 -1.223 . . . . 25.0 112.365 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -71.39 -34.58 70.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 120.492 -1.38 . . . . 25.0 108.6 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' B' ' 14' ' ' ALA . 1.3 tt -69.41 -49.22 57.24 Favored 'General case' 0 N--CA 1.418 -2.041 0 N-CA-C 106.318 -1.734 . . . . 25.0 106.318 177.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -15.26 63.5 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 118.955 -1.098 . . . . 25.0 112.587 -176.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -64.47 -24.34 67.58 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.931 -0.708 . . . . 25.0 112.205 174.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -72.48 -16.94 61.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 117.695 -1.145 . . . . 25.0 110.954 176.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 m -69.25 135.16 50.12 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 120.56 1.527 . . . . 25.0 112.213 -175.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 . . . . . 0 C--O 1.244 0.814 0 C-N-CA 119.903 -0.719 . . . . 25.0 110.442 178.271 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 118.971 -0.538 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 75.73 153.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.926 1.29 . . . . 25.0 109.952 -172.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.32 127.0 29.31 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 119.551 1.069 . . . . 25.0 112.482 -177.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -146.37 156.9 43.66 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 177.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 -5.67 58.84 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 122.4 1.095 . . . . 25.0 109.65 -177.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt 56.8 -58.23 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 119.982 3.327 . . . . 25.0 119.982 177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.74 130.17 31.89 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.676 1.361 . . . . 25.0 114.676 -168.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.62 -99.2 0.68 Allowed Glycine 0 N--CA 1.423 -2.225 0 N-CA-C 106.479 -2.648 . . . . 25.0 106.479 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -117.68 -30.07 5.56 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 118.492 1.146 . . . . 25.0 113.962 -177.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.27 -23.81 66.46 Favored 'General case' 0 C--O 1.26 1.61 0 C-N-CA 119.517 -0.873 . . . . 25.0 111.428 -176.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -44.76 67.41 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-N 118.795 0.725 . . . . 25.0 112.198 -179.544 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.34 -46.74 86.25 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.276 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 -177.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.84 -44.13 90.87 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.179 -0.951 . . . . 25.0 108.849 -178.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.79 -47.38 85.93 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.546 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.63 -35.93 77.95 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 120.877 0.37 . . . . 25.0 111.095 -177.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -59.56 -45.14 92.7 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 121.749 0.785 . . . . 25.0 109.782 171.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -68.11 -41.61 81.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.497 -1.377 . . . . 25.0 113.416 -173.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -92.06 -44.67 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.211 -0.904 . . . . 25.0 113.411 -171.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -92.56 -21.62 19.99 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.965 -1.084 . . . . 25.0 110.716 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.56 -149.32 25.78 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 109.493 -1.443 . . . . 25.0 109.493 -175.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.84 -0.16 17.49 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 120.784 -1.421 . . . . 25.0 113.647 177.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -117.44 66.4 0.74 Allowed 'General case' 0 C--O 1.188 -2.161 0 CA-C-O 121.733 0.778 . . . . 25.0 112.585 -176.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.51 -1.1 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 C-N-CA 118.572 -1.775 . . . . 25.0 115.324 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -157.18 169.61 24.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.629 -1.619 . . . . 25.0 106.629 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -100.4 -70.02 0.75 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 122.774 1.273 . . . . 25.0 107.904 175.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -73.06 159.14 85.94 Favored Pre-proline 0 C--N 1.356 0.872 0 C-N-CA 126.204 1.801 . . . . 25.0 109.691 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -69.47 102.63 1.0 Allowed 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 115.954 -2.231 . . . . 25.0 114.098 178.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.886 0 N-CA-C 102.32 -3.215 . . . . 25.0 102.32 -173.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.426 -1.763 . . . . 25.0 111.37 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -68.77 -28.73 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.59 1.186 . . . . 25.0 112.718 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.88 -58.6 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 O-C-N 121.33 -0.856 . . . . 25.0 111.894 -179.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -65.84 -38.45 88.89 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.22 -39.23 92.12 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 124.324 1.015 . . . . 25.0 113.112 178.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -76.49 -43.36 40.0 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 121.754 0.787 . . . . 25.0 111.143 177.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.85 -63.07 1.27 Allowed 'General case' 0 C--O 1.277 2.546 0 C-N-CA 123.593 0.757 . . . . 25.0 112.545 177.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.5 34.18 0.26 Allowed 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.233 -1.348 . . . . 25.0 110.295 -171.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -149.8 167.52 26.3 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 123.254 1.502 . . . . 25.0 110.512 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.4 mm -78.87 82.17 1.0 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 163.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -66.87 132.86 48.88 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-O 122.82 1.295 . . . . 25.0 110.3 -174.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.1 m -72.49 164.03 27.07 Favored 'General case' 0 C--O 1.257 1.454 0 CA-C-N 115.116 -0.947 . . . . 25.0 112.256 -172.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.26 -48.15 82.7 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-O 122.594 1.188 . . . . 25.0 112.942 179.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.68 -26.35 62.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 119.413 -2.054 . . . . 25.0 112.25 -178.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -68.1 -40.32 82.62 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 108.677 -0.861 . . . . 25.0 108.677 177.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.34 -46.07 85.08 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.202 -0.453 . . . . 25.0 111.605 174.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -24.78 66.02 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-O 122.171 0.986 . . . . 25.0 112.074 -175.656 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -23.71 57.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.165 -0.925 . . . . 25.0 113.11 176.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -78.21 -31.05 49.19 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -80.52 156.26 26.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 123.281 1.515 . . . . 25.0 111.003 -176.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.269 2.12 0 CA-C-O 113.831 -2.985 . . . . 25.0 104.62 177.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 t80 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 117.326 -1.321 . . . . 25.0 111.743 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t 67.12 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 125.571 1.794 . . . . 25.0 111.321 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.62 126.89 29.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 113.563 -1.653 . . . . 25.0 112.732 -168.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -161.88 164.77 28.43 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.74 149.47 25.75 Favored 'General case' 0 C--O 1.252 1.227 0 N-CA-C 105.766 -1.938 . . . . 25.0 105.766 178.1 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.9 mt -113.09 -153.72 0.53 Allowed 'General case' 0 C--O 1.203 -1.349 0 O-C-N 124.687 1.242 . . . . 25.0 112.74 -169.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 67.55 165.76 0.23 Allowed 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.869 -1.514 . . . . 25.0 109.714 -165.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.1 -150.25 51.77 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 119.578 -1.296 . . . . 25.0 111.28 -175.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -63.59 -27.13 69.03 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 112.959 0.726 . . . . 25.0 112.959 175.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -66.75 -34.72 78.46 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 120.159 -0.617 . . . . 25.0 110.692 -176.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.3 tp -64.85 -38.51 91.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 119.691 -0.803 . . . . 25.0 109.492 176.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.21 -47.37 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.053 0 CA-C-O 122.483 1.135 . . . . 25.0 109.382 -176.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -64.5 -43.21 94.84 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.378 -0.828 . . . . 25.0 111.487 -179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.59 -49.45 65.02 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 124.341 1.026 . . . . 25.0 112.01 177.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' B' ' 24' ' ' PHE . 22.8 mt -71.37 -34.04 70.08 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.606 -0.683 . . . . 25.0 111.285 -178.279 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -64.45 -35.86 82.29 Favored 'General case' 0 C--O 1.197 -1.683 0 CA-C-O 122.595 1.188 . . . . 25.0 109.751 177.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -77.76 -39.88 42.77 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 116.735 2.124 . . . . 25.0 116.735 179.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.1 -45.56 41.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 124.193 0.933 . . . . 25.0 111.593 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.7 m -94.08 -64.08 1.12 Allowed 'General case' 0 C--O 1.176 -2.797 0 CA-C-N 118.289 0.495 . . . . 25.0 111.195 -174.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.42 25.94 74.54 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 120.37 -0.919 . . . . 25.0 112.826 175.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -133.65 20.34 3.9 Favored 'General case' 0 C--O 1.201 -1.499 0 CA-C-O 122.915 1.341 . . . . 25.0 112.727 -178.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 56.95 46.82 18.85 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 114.907 -1.042 . . . . 25.0 108.255 -173.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.98 -20.33 65.46 Favored Glycine 0 C--N 1.345 1.081 0 O-C-N 125.297 1.623 . . . . 25.0 114.323 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' B' ' 15' ' ' LEU . 13.7 p90 -125.24 161.9 25.89 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 105.931 -1.878 . . . . 25.0 105.931 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -135.56 137.46 42.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.458 0.646 . . . . 25.0 111.34 177.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -73.37 161.95 76.69 Favored Pre-proline 0 C--N 1.367 1.351 0 C-N-CA 125.509 1.524 . . . . 25.0 107.856 178.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.51 128.13 17.66 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 114.396 -3.269 . . . . 25.0 113.625 -175.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 C--N 1.41 3.236 0 CA-C-O 115.495 -2.193 . . . . 25.0 106.906 179.719 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.519 4.167 0 N-CA-C 111.211 -0.756 . . . . 25.0 111.211 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.0 tt -55.61 -36.32 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 114.28 1.215 . . . . 25.0 114.28 -178.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.08 -43.55 97.86 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.827 0 O-C-N 120.928 -1.108 . . . . 25.0 112.916 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -45.85 76.88 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 109.479 -0.563 . . . . 25.0 109.479 -175.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.27 -35.11 77.97 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 115.829 -0.623 . . . . 25.0 111.743 178.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -72.96 -43.87 61.79 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 122.443 1.116 . . . . 25.0 111.44 175.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 m -55.82 -52.51 63.76 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 118.883 -2.386 . . . . 25.0 114.919 170.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.87 30.59 0.44 Allowed 'General case' 0 CA--C 1.507 -0.674 0 O-C-N 120.409 -1.432 . . . . 25.0 113.667 -170.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -158.19 170.41 22.32 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 120.176 -0.609 . . . . 25.0 110.335 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -78.93 90.17 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 103.525 -2.769 . . . . 25.0 103.525 172.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.0 121.48 12.54 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.636 0.731 . . . . 25.0 109.461 -173.579 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -78.84 160.23 27.44 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 116.152 -0.476 . . . . 25.0 111.451 -172.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.9 tp -51.59 -49.95 61.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 121.395 0.617 . . . . 25.0 111.745 -176.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -71.73 -24.77 61.84 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.028 -0.987 . . . . 25.0 111.479 -175.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -72.3 -38.18 68.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.688 -2.338 . . . . 25.0 104.688 178.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.38 -42.38 88.02 Favored 'General case' 0 C--O 1.188 -2.155 0 CA-C-N 119.114 0.87 . . . . 25.0 110.047 175.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -61.3 -30.1 70.28 Favored 'General case' 0 C--O 1.193 -1.878 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -20.98 64.61 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 120.404 -1.435 . . . . 25.0 113.829 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -79.66 -31.13 41.41 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 119.269 -0.396 . . . . 25.0 110.584 178.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' B' ' 23' ' ' GLY . 20.6 m -72.98 150.14 42.73 Favored 'General case' 0 C--O 1.184 -2.359 0 CA-C-O 123.482 1.611 . . . . 25.0 114.073 -167.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 m120 . . . . . 0 C--O 1.26 1.634 0 CA-C-O 117.321 -1.323 . . . . 25.0 108.067 -168.793 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.8 t80 . . . . . 0 N--CA 1.509 2.519 0 CA-C-O 116.913 -1.518 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -133.1 145.76 33.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -81.69 110.69 17.27 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 122.688 1.232 . . . . 25.0 112.876 -176.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.66 170.48 22.29 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 115.038 -0.983 . . . . 25.0 109.875 174.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -69.35 148.54 49.54 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 105.084 -2.191 . . . . 25.0 105.084 171.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -2.41 11.28 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 118.489 2.774 . . . . 25.0 118.489 -166.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 156.13 39.69 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 119.685 -1.885 . . . . 25.0 109.839 -179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 52.88 3.44 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 118.141 -1.981 . . . . 25.0 110.715 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m 69.63 -16.55 0.26 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 118.682 2.845 . . . . 25.0 118.682 174.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -65.81 -17.36 64.58 Favored 'General case' 0 C--O 1.191 -2.023 0 CA-C-O 122.044 0.926 . . . . 25.0 112.262 174.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 35.9 tp -64.24 -35.25 80.2 Favored 'General case' 0 C--O 1.271 2.229 0 CA-C-O 122.621 1.2 . . . . 25.0 113.323 177.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.02 -45.55 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.16 -43.4 98.92 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.629 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.67 68.86 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 121.39 -0.818 . . . . 25.0 111.416 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -68.57 -30.53 69.32 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 114.006 1.113 . . . . 25.0 114.006 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -67.4 -35.39 79.21 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 120.224 -1.547 . . . . 25.0 108.954 176.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.1 mt -81.62 -31.16 32.55 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-N 113.862 -1.517 . . . . 25.0 114.801 -178.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.45 -37.74 10.28 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.008 0 O-C-N 123.246 0.341 . . . . 25.0 110.8 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 45.9 m -124.38 -18.09 5.88 Favored 'General case' 0 CA--C 1.489 -1.369 0 N-CA-C 118.353 2.723 . . . . 25.0 118.353 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.95 70.18 1.12 Allowed Glycine 0 CA--C 1.528 0.895 0 CA-C-N 120.8 1.636 . . . . 25.0 114.416 170.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 64.72 -17.56 0.08 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -78.5 30.91 0.19 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 121.71 0.767 . . . . 25.0 112.829 171.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 20' ' ' CYS . . . -165.59 6.89 0.06 OUTLIER Glycine 0 CA--C 1.488 -1.624 0 N-CA-C 117.876 1.91 . . . . 25.0 117.876 -175.279 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -163.65 166.18 22.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 178.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.07 102.97 6.96 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 179.03 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -71.88 166.92 35.8 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 113.422 -1.717 . . . . 25.0 109.7 -178.526 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.73 115.03 4.19 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 113.527 -3.848 . . . . 25.0 111.787 179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -179.415 . . . . . . . . 0 0 . 1 stop_ save_