data_5gwm_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 5gwm _Structure_validation_residue.Date_analyzed 2017-09-08 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 ' 16' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.725 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' HD21 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.725 ' HG3' ' O ' ' A' ' 18' ' ' THR . 45.8 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.596 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.671 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 16' ' ' LEU . 4.2 t . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.573 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.573 HG22 ' O ' ' B' ' 105' ' ' VAL . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.801 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.413 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.474 HD11 HG13 ' A' ' 34' ' ' ILE . 62.9 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.53 0.205 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.779 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD21 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.779 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.3 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' A' ' 27' ' ' ILE . 11.0 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CG ' HD13 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 32' ' ' GLU . 21.9 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' A' ' 16' ' ' LEU . 24.2 t . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.704 -0.109 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.523 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.472 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.635 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.959 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.476 HD13 ' CG ' ' A' ' 30' ' ' LYS . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.959 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 11.1 p30 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.3 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.635 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.6 t-20 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.769 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.639 ' O ' HD21 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.742 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 8.9 p30 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 24' ' ' GLN . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.639 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 32.2 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.2 mm-40 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.649 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' B' ' 120' ' ' GLU . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.433 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.624 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.683 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 16.0 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.535 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.732 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 25.0 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.639 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.6 mm-40 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.41 HG11 ' HG ' ' A' ' 16' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.331 0.11 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.575 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t-20 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.575 HG21 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.442 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.428 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.492 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.492 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.407 HD13 HG13 ' A' ' 34' ' ' ILE . 77.9 mt . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.595 ' O ' HD22 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 61.9 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD13 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.452 HG11 ' HG ' ' A' ' 16' ' ' LEU . 8.1 t . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.633 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.536 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.7 t-20 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.418 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' B' ' 117' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.595 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.449 HD13 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 84.7 mt . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.656 0.265 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.753 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.753 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 21' ' ' GLU . 10.7 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.639 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 32' ' ' GLU . 39.3 t . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.439 HG12 ' HG ' ' A' ' 16' ' ' LEU . 21.5 t . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.472 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.57 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.57 HG22 ' O ' ' B' ' 105' ' ' VAL . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.525 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.778 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.778 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.623 0.249 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.777 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.777 ' HG3' ' O ' ' A' ' 18' ' ' THR . 50.7 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.601 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 32' ' ' GLU . 27.9 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.461 HG13 ' HG ' ' A' ' 16' ' ' LEU . 38.3 t . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.441 0.163 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.523 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.549 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.539 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.724 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.478 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' B' ' 121' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.623 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.528 ' O ' HD21 ' A' ' 23' ' ' LEU . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.455 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 18' ' ' THR . 32.1 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.3 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' A' ' 16' ' ' LEU . 3.8 t . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.587 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.415 HD21 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.587 HG21 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.655 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.655 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 12.7 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.742 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.742 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 80.8 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.777 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' HD21 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.777 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HD2' HD12 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.473 HG13 ' HG ' ' A' ' 16' ' ' LEU . 10.6 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.701 0.286 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.592 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.534 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.3 t-20 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 105' ' ' VAL . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HZ1' ' HB2' ' B' ' 111' ' ' LYS . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 13.9 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.803 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.488 HD12 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.803 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.762 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.762 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' HD13 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.469 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.576 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.473 ' HZ3' ' HB2' ' B' ' 112' ' ' LYS . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 14.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.443 ' HA ' HD11 ' B' ' 124' ' ' LEU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' B' ' 121' ' ' ILE . 83.4 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.779 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 42.5 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.779 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.463 HG12 HD21 ' A' ' 20' ' ' ASN . 8.8 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.435 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 16.0 t-20 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.478 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.542 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.71 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt . . . . . 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.621 ' O ' HD21 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.783 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.621 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.783 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 12.7 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.616 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' B' ' 121' ' ' ILE . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' B' ' 120' ' ' GLU . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 16' ' ' LEU . 9.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.556 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.556 HG21 ' O ' ' B' ' 105' ' ' VAL . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.785 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.785 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.471 HD21 HG12 ' B' ' 103' ' ' VAL . 21.1 t-20 -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.7 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE3' HG21 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 20' ' ' ASN . 4.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.593 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.593 HG21 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.503 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 15.0 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.784 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 p30 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 18' ' ' THR . 23.2 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.676 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.607 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD2' HD11 ' B' ' 121' ' ' ILE . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.436 HG12 ' HG ' ' A' ' 16' ' ' LEU . 11.4 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.536 0.208 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.479 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.583 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.429 ' O ' HD11 ' A' ' 23' ' ' LEU . 3.2 t-20 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.812 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' B' ' 124' ' ' LEU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.812 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' B' ' 121' ' ' ILE . 85.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' O ' HD21 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' B' ' 120' ' ' GLU . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 32' ' ' GLU . 21.7 t . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.404 HG12 ' HG ' ' A' ' 16' ' ' LEU . 5.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.526 0.203 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.521 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.684 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.7 t-20 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.451 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.805 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.805 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' HG12 ' B' ' 103' ' ' VAL . 15.9 tp . . . . . 0 C--O 1.236 0.377 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.565 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 23' ' ' LEU . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 17' ' ' VAL . 4.9 p30 -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' B' ' 110' ' ' TYR . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HA ' HD11 ' A' ' 27' ' ' ILE . 9.3 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 24' ' ' GLN . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.478 HG12 ' HG ' ' A' ' 16' ' ' LEU . 27.1 t . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.212 0.053 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.858 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.432 HD11 ' CE ' ' A' ' 30' ' ' LYS . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.858 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.443 HD11 HG13 ' A' ' 34' ' ' ILE . 67.8 mt . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.686 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD21 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.686 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.7 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' CD2' ' HA ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.3 mm100 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.511 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.615 ' O ' HG21 ' B' ' 109' ' ' VAL . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.615 HG21 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.473 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.489 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.817 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.437 HD13 HG13 ' A' ' 34' ' ' ILE . 64.0 mt . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 104' ' ' GLU . 20.4 tp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.713 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.419 HD21 HG11 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.713 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.458 ' N ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG22 ' HG2' ' B' ' 120' ' ' GLU . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . 0.419 HG11 HD21 ' A' ' 20' ' ' ASN . 13.0 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.456 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.605 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.605 HG22 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.505 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.829 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.829 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 10.1 p30 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.614 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.2 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 12.8 mm100 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.553 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.553 HG21 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' TYR . . . . . 0.419 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . 0.656 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' B' ' 124' ' ' LEU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 98.7 mt . . . . . 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -83.59 -24.4 31.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.57 -50.21 4.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.976 0.417 . . . . 0.0 110.138 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.6 mt -75.09 99.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -96.79 -171.85 2.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.045 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.09 -32.35 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.3 mm-40 -52.05 -63.26 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.629 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.57 -33.45 73.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.963 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 32.6 tt0 -66.54 -59.61 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.35 -43.22 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.747 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 97.2 mtt180 -61.73 -38.37 87.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.616 ' O ' HG12 ' A' ' 17' ' ' VAL . 22.2 t80 -74.86 -48.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.579 ' O ' HG23 ' A' ' 17' ' ' VAL . 85.6 mm-40 -54.15 -54.44 39.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.237 0.542 . . . . 0.0 111.435 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 31.7 mmmt -57.67 -34.21 69.14 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.263 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp -67.02 -45.56 77.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.725 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' O ' HD21 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.725 ' HG3' ' O ' ' A' ' 18' ' ' THR . 45.8 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.671 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.63 -40.33 81.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.736 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.2 mm? -58.05 -41.31 83.03 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.032 174.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.6 mmt180 -51.07 -49.71 60.09 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.451 0.469 . . . . 0.0 110.633 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -65.46 -39.12 91.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.558 -177.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -66.81 -36.48 82.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.675 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 58.7 mt -69.66 -27.82 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.001 175.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' ARG . 59.2 t -56.01 -46.34 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.546 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -66.7 -29.55 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.019 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.351 0.596 . . . . 0.0 110.654 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.55 14.49 68.04 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.196 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 27.7 t70 -90.59 1.68 56.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 109.794 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.69 -36.64 16.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.023 -0.99 . . . . 0.0 113.158 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.66 -33.0 12.5 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.87 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.31 -125.47 7.0 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -142.66 94.96 2.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.056 0.455 . . . . 0.0 110.102 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -114.52 87.99 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.594 ' CD1' ' H ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -93.44 0.83 56.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.117 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 C--O 1.237 0.426 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.551 178.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -88.69 -172.03 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.968 2.445 . . . . 0.0 113.02 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.79 140.54 14.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.302 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.35 -3.52 33.12 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.148 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.4 p -79.16 -11.02 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.684 -0.258 . . . . 0.0 111.423 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -73.11 -50.27 23.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.235 0.541 . . . . 0.0 109.835 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.439 ' HB3' ' HB ' ' B' ' 93' ' ' VAL . 91.9 mtt180 -109.78 69.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.597 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 85.5 t80 -54.9 -53.84 50.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.586 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.48 -41.4 90.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.965 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' B' ' 90' ' ' ARG . 31.2 t -68.71 -57.41 8.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 70.4 m-20 -64.13 -55.61 20.72 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.054 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 2.9 m-20 -59.06 -10.53 2.69 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -71.92 -63.03 1.22 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -84.07 -43.8 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.479 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 40.0 mm-40 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.851 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.678 ' O ' HG23 ' B' ' 103' ' ' VAL . 3.5 tm? -65.53 -54.03 33.91 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.436 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.55 -30.78 68.86 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.796 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.491 ' O ' HG11 ' B' ' 105' ' ' VAL . 78.6 t80 -69.36 -44.23 71.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.173 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.64 -22.06 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.489 -175.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 99' ' ' LEU . 4.2 t -70.05 -46.49 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.544 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.573 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.573 HG22 ' O ' ' B' ' 105' ' ' VAL . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.445 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.801 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.613 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.801 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 62.9 mt -68.1 -35.45 78.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -64.94 -40.1 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.261 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 15.2 ptt180 -65.86 -32.76 74.47 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.724 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.519 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 18.9 tp -60.9 -56.54 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 170.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.7 mt -51.79 -64.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.237 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.07 -35.94 81.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.837 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 37.1 t -79.54 -15.63 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.266 0.555 . . . . 0.0 110.854 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.8 73.7 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.08 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' B' ' 127' ' ' LEU . 40.2 tp -58.17 -40.52 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.411 0.285 . . . . 0.0 111.088 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.245 0.837 0 O-C-N 123.641 0.588 . . . . 0.0 111.143 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 20.7 t70 -106.68 155.43 19.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 111.18 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.54 -29.84 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.607 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.38 -47.84 4.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 54.2 mt -67.09 110.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.291 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -87.98 -179.98 6.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.257 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 58.0 mttp -62.04 -15.17 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 23.2 mm-40 -54.01 -66.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.847 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' HB3' HG22 ' A' ' 5' ' ' ILE . 14.5 t70 -79.9 -42.24 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.65 -61.91 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.925 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 57.8 mm-40 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -65.41 -41.88 93.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.625 ' O ' HG13 ' A' ' 17' ' ' VAL . 14.5 t80 -64.56 -44.9 89.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.076 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.617 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.69 -53.93 48.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.44 178.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.2 mmmt -60.12 -32.44 71.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp -64.74 -46.5 81.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.779 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD21 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.779 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.3 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' A' ' 27' ' ' ILE . 11.0 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.646 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CG ' HD13 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.659 ' O ' HG22 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.446 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 32' ' ' GLU . 21.9 t -64.75 -29.81 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -62.72 -32.16 73.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.255 176.593 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 42' ' ' VAL . 21.0 mtp180 -60.1 -40.96 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.778 0.323 . . . . 0.0 110.303 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.515 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 12.4 mm100 -64.7 -33.2 75.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 110.437 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.34 -38.77 91.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 172.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -66.52 -33.86 76.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 53.5 t -55.06 -46.03 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.302 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.44 -32.33 73.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.581 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -75.84 -24.75 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 110.494 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 28.91 24.45 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.158 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.0 -21.59 63.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.929 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.82 10.1 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.303 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -73.5 -7.48 51.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.288 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.95 -37.46 64.79 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -153.3 89.08 1.33 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.113 0.482 . . . . 0.0 109.911 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -115.94 130.27 56.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 109.723 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.6 mt -106.01 -27.08 11.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.231 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.237 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -86.75 -172.08 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.853 2.369 . . . . 0.0 111.582 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.596 ' H ' HD12 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.32 152.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.533 0.682 . . . . 0.0 112.038 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.9 14.29 65.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.475 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -63.53 -2.1 1.48 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 89' ' ' ARG . 5.5 ptp180 -64.35 -23.77 67.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -153.39 -33.86 0.11 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.254 0.549 . . . . 0.0 110.781 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.461 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 70.3 t80 -68.3 -10.63 56.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.036 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.64 -30.51 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 0.0 110.05 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.47 -44.92 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.627 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 4.6 m-20 -63.21 -50.24 71.04 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.415 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.726 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.7 t70 -51.3 -19.97 1.49 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.249 0.619 . . . . 0.0 112.079 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 42.8 ttp180 -72.46 -66.2 0.69 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' B' ' 97' ' ' ARG . 3.5 tmt_? -78.43 -50.4 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.383 0.611 . . . . 0.0 110.784 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 51.8 mm-40 -62.0 -47.92 82.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.334 -172.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.726 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.4 tm? -67.95 -47.77 67.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -61.46 -34.23 75.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.23 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.513 ' O ' HG12 ' B' ' 105' ' ' VAL . 85.3 t80 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.785 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.515 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 9.8 ptm180 -75.91 -22.32 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.163 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.697 HG22 ' O ' ' B' ' 99' ' ' LEU . 24.2 t -70.23 -44.0 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.704 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.523 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.3 mm-40 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.472 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.635 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.959 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.655 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.959 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.5 mt -62.72 -52.21 64.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.9 mt-10 -56.28 -35.81 67.91 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.014 0.196 . . . . 0.0 111.097 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 22.4 mmm180 -54.55 -49.61 69.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.943 0.401 . . . . 0.0 110.391 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.59 -37.86 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.018 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 71.6 mt -53.08 -56.37 16.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.598 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.59 -31.51 72.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.471 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 27.4 t -66.78 -25.01 66.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.27 16.49 6.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.478 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 37.1 tp -69.72 -43.7 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 110.099 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.67 178.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.876 0.37 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.65 -31.55 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.459 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.12 -22.72 55.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -40.11 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 9' ' ' ASP . 42.4 mt -72.4 138.94 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.819 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -91.26 169.1 11.1 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 32.5 ttmt -60.46 -23.49 64.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -46.87 -67.1 0.31 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.116 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' HB3' HG21 ' A' ' 5' ' ' ILE . 12.6 t70 -71.89 -26.03 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 31.3 tt0 -65.31 -59.67 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.506 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 45.0 mt-10 -60.19 -31.51 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.505 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -55.45 -52.75 62.59 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.023 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' O ' HG12 ' A' ' 17' ' ' VAL . 27.0 t80 -62.83 -53.39 55.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.766 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.593 ' O ' HG21 ' A' ' 17' ' ' VAL . 38.1 mt-30 -50.08 -58.39 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.916 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 63.8 mmtt -57.15 -33.13 67.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.78 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD13 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp -66.94 -43.19 83.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 11.1 p30 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.3 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.672 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.33 -38.23 82.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.68 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.8 mm? -65.13 -39.74 93.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.047 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.592 ' O ' HG22 ' A' ' 42' ' ' VAL . 11.4 ptt180 -63.56 -36.47 83.9 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.568 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 10.9 mm100 -64.19 -36.6 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.283 0.563 . . . . 0.0 110.312 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -66.94 -44.94 79.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.504 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt -60.06 -27.39 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.042 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 38' ' ' ARG . 55.7 t -57.2 -46.05 84.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.351 . . . . 0.0 110.494 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.05 -28.15 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -84.26 -32.08 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.857 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.4 2.82 53.76 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.3 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 9.0 t70 -74.0 -28.89 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.415 0.626 . . . . 0.0 110.403 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.32 13.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.979 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 7.5 tmtt? -61.72 -43.26 99.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.8 150.82 10.5 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.571 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.1 m -106.27 88.97 2.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 109.567 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -103.56 100.04 9.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.32 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.28 43.78 1.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.299 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.545 -177.725 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 112.317 -0.313 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -85.17 -170.88 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.271 2.647 . . . . 0.0 111.784 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 86' ' ' LEU . 2.3 pt? -45.58 101.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.664 0.745 . . . . 0.0 111.687 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.44 -70.01 0.58 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.645 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.1 m -91.38 -35.7 14.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 111.494 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.511 ' HB2' ' OD2' ' B' ' 94' ' ' ASP . 24.3 mmt180 -81.15 -71.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.49 -175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 90' ' ' ARG . 49.0 mtt180 62.7 -173.58 0.15 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.391 0.432 . . . . 0.0 111.015 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 56.91 -151.66 0.41 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.481 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.14 -27.69 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.74 -49.32 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.507 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.672 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.6 OUTLIER -78.84 -25.04 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 178.436 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 6.5 m-20 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.269 0.557 . . . . 0.0 109.902 172.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 29.6 ttm180 -92.5 -61.71 1.55 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.457 ' HD3' ' OD1' ' B' ' 94' ' ' ASP . 49.5 ttt180 -47.62 -51.43 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.43 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.672 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 47.3 mt-10 -74.65 -38.0 62.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.637 ' O ' HG21 ' B' ' 103' ' ' VAL . 0.6 OUTLIER -66.34 -53.52 35.22 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.309 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 21.2 pt20 -63.19 -30.02 71.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.694 ' O ' HG12 ' B' ' 105' ' ' VAL . 60.1 t80 -51.64 -46.17 63.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.303 175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.555 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 42.4 ptt85 -80.8 -21.81 40.6 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.481 -176.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.637 HG21 ' O ' ' B' ' 99' ' ' LEU . 9.5 t -72.58 -42.49 63.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.694 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.635 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.6 t-20 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.47 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.769 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.624 ' O ' HD11 ' B' ' 128' ' ' LEU . 78.4 mt -61.83 -50.1 73.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 53.3 mt-10 -55.83 -33.82 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.626 0.25 . . . . 0.0 111.457 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 65.2 mtp180 -63.68 -24.26 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' B' ' 132' ' ' LEU . 12.4 tp -87.0 -58.42 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.219 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.624 HD11 ' O ' ' B' ' 124' ' ' LEU . 8.1 mp -46.91 -67.87 0.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.071 0.949 . . . . 0.0 113.031 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.85 -29.45 70.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.648 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -72.7 -10.66 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.142 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.85 18.01 64.34 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.961 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' B' ' 127' ' ' LEU . 81.9 mt -79.41 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.35 173.582 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -55.5 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.503 0.502 . . . . 0.0 111.777 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -82.73 6.45 18.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.89 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.88 -16.11 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 111.414 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.42 131.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.169 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -110.19 -169.35 1.45 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.541 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.592 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 17.1 ttmt -62.56 -22.92 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.957 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -42.8 -51.93 5.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.149 0.579 . . . . 0.0 112.319 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -72.46 -41.18 66.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.774 0.321 . . . . 0.0 110.848 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.64 -60.21 4.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.083 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 6.3 pt-20 -62.0 -29.0 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.95 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.19 -46.68 79.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' O ' HG11 ' A' ' 17' ' ' VAL . 8.2 t80 -59.88 -47.93 83.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.434 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 17' ' ' VAL . 32.3 mm-40 -51.53 -55.25 20.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.761 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.9 mmtt -64.74 -26.21 68.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.634 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp -66.83 -39.34 87.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.549 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.639 ' O ' HD21 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.742 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 8.9 p30 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' NE2' ' A' ' 24' ' ' GLN . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.639 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 32.2 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.2 mm-40 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.649 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' B' ' 120' ' ' GLU . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.29 -38.97 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.7 mm? -60.32 -36.57 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.719 173.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 ttt180 -64.66 -41.1 96.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.805 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.458 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 13.4 mm100 -61.84 -40.73 96.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.206 0.527 . . . . 0.0 110.56 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -66.34 -34.49 78.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.391 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 50.6 mt -67.4 -26.37 66.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.57 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.4 t -61.83 -47.06 95.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.777 0.323 . . . . 0.0 110.503 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.84 -27.93 65.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -70.46 -35.09 73.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.827 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.9 26.2 8.6 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.057 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.3 t70 -68.99 -30.7 69.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.279 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.55 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 110.865 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.93 -12.5 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.189 0.518 . . . . 0.0 109.925 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.13 97.36 0.87 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.9 m -143.21 121.43 12.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.88 111.41 20.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.168 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 52' ' ' LEU . 1.9 mm? -75.93 67.27 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.075 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 178.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.33 -170.58 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.855 2.37 . . . . 0.0 112.251 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.55 148.9 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.672 0.749 . . . . 0.0 112.713 176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.47 9.93 71.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -73.84 -3.55 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.782 0.325 . . . . 0.0 111.26 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -100.11 6.42 44.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.466 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -77.05 139.17 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.279 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -47.47 -49.93 24.33 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.77 -30.51 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.975 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.19 -44.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 32.9 m-20 -68.74 -54.06 18.29 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.608 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.61 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.8 OUTLIER -55.94 -18.86 10.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.955 0.407 . . . . 0.0 112.06 -171.626 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 42.1 ttp180 -83.7 -46.92 11.75 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 122.024 -0.422 . . . . 0.0 110.361 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.529 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 4.9 tmm_? -88.32 -49.51 6.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.529 ' HG2' ' NH1' ' B' ' 97' ' ' ARG . 43.6 mm-40 -56.76 -47.52 79.9 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.461 0.704 . . . . 0.0 112.097 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 1.8 tm? -70.41 -47.22 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.79 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.7 pt20 -63.28 -31.78 73.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.486 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.586 ' O ' HG13 ' B' ' 105' ' ' VAL . 76.6 t80 -61.19 -41.64 97.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.625 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 5.3 ptp180 -73.32 -22.9 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.801 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.563 HG21 ' O ' ' B' ' 99' ' ' LEU . 12.4 t -69.34 -45.07 79.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 101' ' ' TYR . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.624 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.683 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.683 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 16.0 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.535 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.541 ' O ' HD12 ' B' ' 128' ' ' LEU . 47.4 mt -65.4 -49.12 70.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 46.7 mt-10 -58.89 -28.16 65.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.618 0.247 . . . . 0.0 111.103 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -59.16 -44.86 92.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.202 0.525 . . . . 0.0 109.775 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' B' ' 132' ' ' LEU . 14.6 tp -63.47 -62.14 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 124' ' ' LEU . 9.2 mp -45.1 -67.02 0.32 Allowed 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.84 0.856 . . . . 0.0 112.816 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.34 -34.22 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -82.2 -22.54 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.897 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.1 60.41 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.49 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.465 ' HB3' HD13 ' B' ' 127' ' ' LEU . 54.6 tp -62.94 -46.65 86.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.595 -0.303 . . . . 0.0 111.159 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.248 0.994 0 O-C-N 123.772 0.67 . . . . 0.0 111.447 179.79 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.023 0.439 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.74 33.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.093 0.473 . . . . 0.0 110.864 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -91.48 -50.26 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.82 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.89 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -86.9 137.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.767 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -107.32 173.52 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -56.21 -29.56 61.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -47.82 -54.33 12.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.829 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.1 -29.45 26.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.07 -175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.03 -55.6 24.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.19 -39.46 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.184 0.516 . . . . 0.0 110.51 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.37 -43.29 98.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.951 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.7 t80 -70.9 -50.09 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.243 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 17' ' ' VAL . 35.7 mt-30 -52.43 -54.26 34.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.135 0.493 . . . . 0.0 111.794 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' O ' ' HB ' ' A' ' 18' ' ' THR . 58.4 mmtt -64.96 -24.59 67.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp -68.6 -45.15 72.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.732 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 25.0 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.639 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.635 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.6 mm-40 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.638 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.14 -38.0 81.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -63.84 -42.35 97.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.918 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.622 ' O ' HG22 ' A' ' 42' ' ' VAL . 2.0 ptp180 -69.22 -34.55 75.02 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.387 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 15.2 mm100 -57.17 -42.49 81.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.88 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 20.7 mtp180 -63.21 -42.72 99.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.315 175.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.3 mt -71.5 -17.79 62.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 37.3 t -61.33 -36.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.581 0.705 . . . . 0.0 109.237 171.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.71 -15.04 59.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.933 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' HE ' ' HB2' ' A' ' 46' ' ' ASP . 7.5 ptt180 -93.03 -32.53 14.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.698 0.761 . . . . 0.0 109.394 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.13 36.09 2.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.482 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.552 ' HB2' ' HE ' ' A' ' 44' ' ' ARG . 20.1 t70 -90.23 -31.36 17.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.0 110.778 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -12.3 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.282 0.563 . . . . 0.0 109.857 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.83 -26.74 68.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.832 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.27 -14.78 80.45 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.013 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -108.95 92.63 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 129.85 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.9 mt -119.82 1.17 10.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 0.0 111.227 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -82.58 -172.42 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.586 2.191 . . . . 0.0 112.615 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.52 145.92 2.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.901 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.22 65.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.365 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 10.3 p -79.14 -31.87 44.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.491 0.186 . . . . 0.0 111.481 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 77.5 mtp180 -78.81 -50.57 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.796 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 49.61 62.65 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.685 0.615 . . . . 0.0 110.976 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 61.51 -154.01 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.242 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.46 -1.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.004 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.25 -64.51 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.573 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 1.5 m-20 -72.42 -39.73 67.68 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.367 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.87 -19.24 6.12 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -82.4 -65.48 1.01 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.422 ' HA ' ' OE1' ' B' ' 100' ' ' GLN . 5.0 tmm_? -69.71 -40.07 76.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.592 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 70.0 mm-40 -66.45 -45.99 77.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.702 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.2 tm? -61.88 -48.42 80.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.563 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' B' ' 97' ' ' ARG . 4.8 pt20 -67.23 -31.16 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.471 ' O ' HG12 ' B' ' 105' ' ' VAL . 88.8 t80 -67.42 -44.17 79.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.98 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.7 OUTLIER -64.39 -27.53 69.07 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.768 -176.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 99' ' ' LEU . 20.1 t -69.56 -43.43 80.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.198 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.575 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t-20 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.575 HG21 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.442 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.428 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.492 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.647 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.654 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 77.9 mt -72.4 -46.84 53.38 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.647 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 59.1 mt-10 -56.46 -42.81 78.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.597 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.4 -35.42 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.869 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -75.69 -36.04 60.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.728 0.299 . . . . 0.0 110.35 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 81.0 mt -54.76 -57.9 9.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.348 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.9 -25.03 66.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.033 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 38.5 t -65.54 -12.96 57.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.31 25.64 3.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.971 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.94 -61.66 1.93 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.54 0.686 . . . . 0.0 109.256 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.545 177.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -114.32 142.62 46.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -93.13 -4.68 51.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.743 0.306 . . . . 0.0 111.381 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.74 3.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 110.047 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.99 100.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.923 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -88.06 178.14 6.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.063 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.42 -25.91 62.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 7.0 tp10 -52.28 -63.55 1.1 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.787 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.55 -38.25 89.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.799 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.33 -61.16 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.24 -33.67 63.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.662 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 6.1 mmp_? -62.47 -39.26 92.84 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 0.0 110.246 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' O ' HG11 ' A' ' 17' ' ' VAL . 36.9 t80 -74.59 -46.47 38.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.49 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' VAL . 16.7 mm-40 -54.12 -55.46 27.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.713 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.6 mmmt -56.72 -30.47 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.203 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp -70.45 -47.13 62.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.615 HG11 ' O ' ' A' ' 13' ' ' TYR . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.595 ' O ' HD22 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD22 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 61.9 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.545 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD13 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -66.71 -40.35 85.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.696 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.5 mm? -64.11 -33.92 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.435 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' O ' HG21 ' A' ' 42' ' ' VAL . 27.4 mmm180 -59.33 -47.08 86.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.609 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 mm100 -62.63 -33.6 75.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.239 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 40' ' ' ARG . 21.5 mtp180 -66.91 -42.17 85.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.852 175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 8.4 mt -74.06 -15.97 61.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.309 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 40.4 t -61.73 -37.19 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 169.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.321 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -81.38 -36.22 29.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.297 0.57 . . . . 0.0 109.528 176.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.46 22.46 6.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.523 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.57 -30.65 64.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 111.009 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.18 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -75.57 -23.26 56.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 109.942 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.82 18.21 22.11 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -126.9 102.18 6.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.97 131.41 42.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.936 0.875 . . . . 0.0 112.343 -175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.01 17.79 2.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.583 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.952 -175.186 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.34 -171.88 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.886 2.39 . . . . 0.0 112.554 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.32 154.07 0.19 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.63 0.729 . . . . 0.0 112.839 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.07 11.59 28.4 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.378 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -102.83 18.46 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.61 7.23 12.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.076 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -130.08 -163.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 69.84 -165.75 0.17 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.523 0.515 . . . . 0.0 111.294 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.8 -40.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.612 -175.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.03 -29.58 43.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.483 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 16.2 t70 -77.04 -57.41 3.86 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.19 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 14.9 m-20 -60.0 -28.63 67.87 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.992 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -87.75 -70.37 0.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.939 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -76.57 -40.83 48.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.719 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.3 mm-40 -72.2 -34.97 68.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.684 ' O ' HG22 ' B' ' 103' ' ' VAL . 1.9 tm? -62.91 -54.62 35.73 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.944 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 8.6 mm100 -50.3 -45.31 54.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.024 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.553 ' O ' HG13 ' B' ' 105' ' ' VAL . 62.8 t80 -64.33 -40.11 95.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.975 -176.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.637 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 12.8 ptt180 -77.61 -21.92 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.965 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.684 HG22 ' O ' ' B' ' 99' ' ' LEU . 8.1 t -68.25 -43.78 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.251 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.565 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.637 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.536 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.7 t-20 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.418 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.595 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' B' ' 117' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.595 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.662 ' O ' HD11 ' B' ' 128' ' ' LEU . 84.7 mt -70.07 -49.88 46.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -52.29 -41.88 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -65.3 -32.4 74.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.6 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.14 -54.04 17.0 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.662 HD11 ' O ' ' B' ' 124' ' ' LEU . 9.0 mp -47.53 -66.98 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.195 0.998 . . . . 0.0 112.808 173.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.47 -22.78 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.572 -172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 t -75.48 -6.47 50.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.092 0.472 . . . . 0.0 110.53 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.97 18.35 40.42 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.24 -22.9 20.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.098 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.027 177.788 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.0 34.28 0.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 0.0 111.071 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.0 -50.79 38.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.372 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.52 -46.11 10.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.02 0.438 . . . . 0.0 109.923 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.96 108.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.775 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -106.47 -169.99 1.65 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.255 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -59.33 -30.71 68.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.919 0.39 . . . . 0.0 110.282 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -51.36 -65.58 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.671 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.14 -37.37 79.88 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.19 -64.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.678 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.8 -34.18 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 3.7 tpm_? -65.14 -35.06 79.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.173 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.9 t80 -76.61 -46.97 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.564 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.1 mm100 -52.79 -56.05 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.713 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 18' ' ' THR . 64.5 mmtt -59.07 -32.15 69.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.478 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp -64.61 -44.2 91.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.753 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' O ' HD23 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.753 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 21' ' ' GLU . 10.7 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.665 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 32' ' ' GLU . 39.3 t -67.2 -42.36 87.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -60.35 -38.94 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.902 171.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' O ' HG22 ' A' ' 42' ' ' VAL . 29.5 mtp180 -63.66 -39.1 93.49 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 26.7 mm-40 -57.2 -38.61 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.481 0.658 . . . . 0.0 110.304 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 28.2 mtp180 -64.35 -44.91 89.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.26 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 2.5 mt -71.13 -16.24 62.54 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.625 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 17.5 t -61.3 -30.92 48.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.772 0.796 . . . . 0.0 109.155 172.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.68 -27.36 61.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.288 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.709 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 2.4 ptp180 -80.86 -31.74 35.26 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.393 0.616 . . . . 0.0 109.386 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.7 33.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.987 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.55 -25.35 57.08 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -83.29 13.57 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.408 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.72 -43.51 15.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.134 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 -72.4 2.74 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.642 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 t -156.01 89.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.355 0.597 . . . . 0.0 111.212 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 37.02 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.23 109.14 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.56 0.695 . . . . 0.0 110.466 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.5 t30 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.427 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.38 -172.76 1.54 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.398 2.065 . . . . 0.0 112.626 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.544 ' O ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.0 115.41 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.781 0.8 . . . . 0.0 112.414 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.86 -37.93 1.34 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.139 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -93.1 18.83 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.297 . . . . 0.0 111.585 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.467 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 69.2 mtp180 -94.56 -72.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.818 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 58.58 76.29 0.35 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.364 0.602 . . . . 0.0 111.355 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 62.47 -165.09 0.24 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.99 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.51 -24.18 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.848 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.92 -61.12 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 120.942 0.401 . . . . 0.0 110.799 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 2.3 m-20 -69.48 -48.39 60.85 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.815 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 24.0 t70 -60.68 -8.68 3.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.968 0.414 . . . . 0.0 111.722 -176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 13.0 tpt180 -76.74 -55.14 5.76 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.155 -0.966 . . . . 0.0 109.13 173.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -86.4 -48.67 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.425 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 35.3 mm-40 -58.67 -40.56 83.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.935 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.815 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 0.4 OUTLIER -69.66 -52.66 23.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.705 -179.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.6 pt20 -59.87 -33.44 71.83 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.414 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.55 ' O ' HG13 ' B' ' 105' ' ' VAL . 83.3 t80 -70.7 -34.0 71.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.911 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.667 ' CZ ' HD21 ' B' ' 99' ' ' LEU . 11.1 ptt-85 -79.32 -25.18 42.39 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.86 -177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.654 HG22 ' O ' ' B' ' 99' ' ' LEU . 21.5 t -66.22 -43.99 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.73 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.472 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.597 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.57 HG22 ' O ' ' B' ' 105' ' ' VAL . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.525 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.778 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.543 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.778 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.462 ' O ' HD12 ' B' ' 128' ' ' LEU . 76.7 mt -63.19 -47.05 84.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 49.1 mt-10 -50.88 -32.44 20.48 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.402 0.439 . . . . 0.0 111.446 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -60.34 -45.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.916 0.389 . . . . 0.0 110.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.483 HD12 ' NH1' ' A' ' 40' ' ' ARG . 4.6 mm? -74.51 -40.81 61.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.731 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.462 HD12 ' O ' ' B' ' 124' ' ' LEU . 11.2 mp -48.5 -60.16 2.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 111.162 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 125' ' ' GLU . 46.3 mt-10 -58.41 -34.56 70.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.453 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -66.5 -26.67 67.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.706 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 111.87 19.43 7.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.278 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.8 tp -84.43 -67.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.063 0.431 . . . . 0.0 110.787 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.471 -177.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.776 0.322 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.41 -32.83 66.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.886 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -83.96 -6.49 59.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 -12.1 53.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.656 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 9' ' ' ASP . 52.4 mt -79.13 103.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -86.03 -176.31 5.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 3.4 ttmp? -63.98 -25.44 68.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.367 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -50.26 -60.82 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.456 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' HB3' HG21 ' A' ' 5' ' ' ILE . 35.1 t70 -74.21 -25.92 59.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.532 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 33.0 tt0 -63.97 -57.15 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.741 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 41.7 mt-10 -56.19 -33.47 65.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.93 0.395 . . . . 0.0 110.913 175.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 40.0 ttm180 -59.7 -49.93 75.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.984 175.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' O ' HG13 ' A' ' 17' ' ' VAL . 16.4 t80 -63.79 -46.71 83.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.219 178.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.585 ' O ' HG22 ' A' ' 17' ' ' VAL . 12.1 mt-30 -51.04 -56.83 10.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -57.65 -34.41 69.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.0 110.957 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp -64.23 -44.28 92.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.197 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.777 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' O ' HD23 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.777 ' HG3' ' O ' ' A' ' 18' ' ' THR . 50.7 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 23' ' ' LEU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.601 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 32' ' ' GLU . 27.9 t -68.16 -34.23 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.643 ' HB3' ' NZ ' ' B' ' 123' ' ' LYS . 1.8 mm? -71.26 -28.7 64.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.608 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' O ' HG21 ' A' ' 42' ' ' VAL . 40.5 mtp180 -62.13 -38.8 90.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.7 mm-40 -63.36 -35.77 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.61 -43.61 97.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.118 172.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -69.51 -29.53 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 38' ' ' ARG . 58.7 t -57.95 -46.25 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.893 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 34.6 mt-10 -64.49 -43.73 93.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.311 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.52 -28.02 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.406 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.29 41.15 8.09 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.769 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.15 -15.15 62.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.268 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.43 61.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -117.16 -50.91 2.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.531 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.63 -90.36 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -158.86 97.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.4 106.18 4.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.874 0.369 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.96 -25.96 40.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.449 0.642 . . . . 0.0 110.291 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.868 176.484 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -84.49 -173.09 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.585 2.19 . . . . 0.0 112.753 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.57 103.76 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.249 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.17 -4.95 27.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.829 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.6 t -77.85 -14.24 59.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -96.93 -71.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.949 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 54.71 49.9 17.0 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.954 0.407 . . . . 0.0 111.673 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 66.45 175.85 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.955 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 96' ' ' ARG . 8.1 p -62.92 -37.32 78.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.441 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 4.6 p -54.01 -49.67 58.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.888 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.73 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 61.3 m-20 -88.56 -33.75 17.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.992 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.737 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.5 t70 -52.49 -30.29 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.878 -0.514 . . . . 0.0 110.995 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.624 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 4.7 mmp_? -78.18 -70.15 0.5 Allowed 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.255 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -52.03 13.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.105 0.479 . . . . 0.0 111.258 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.73 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 5.4 mm-40 -62.96 -47.81 81.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.452 -174.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.737 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 1.5 tm? -64.53 -53.35 49.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.3 pt20 -61.65 -38.25 87.04 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.068 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.532 ' O ' HG13 ' B' ' 105' ' ' VAL . 64.6 t80 -74.78 -26.13 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.617 ' O ' ' HG2' ' B' ' 106' ' ' GLN . 24.3 ptt85 -78.63 -31.65 47.04 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.293 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 99' ' ' LEU . 38.3 t -62.1 -40.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.668 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.523 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.549 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.539 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.57 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.724 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.478 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.599 ' O ' HD12 ' B' ' 128' ' ' LEU . 86.9 mt -66.07 -66.01 0.6 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' B' ' 128' ' ' LEU . 37.0 mt-10 -52.09 -37.34 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -66.06 -29.47 69.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.277 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -90.16 -44.42 9.79 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 122.234 -0.291 . . . . 0.0 110.711 176.306 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.599 HD12 ' O ' ' B' ' 124' ' ' LEU . 8.5 mp -45.46 -60.49 2.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.341 0.656 . . . . 0.0 112.429 171.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.81 -23.68 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 0.0 111.416 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 28.4 t -76.23 -1.91 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.637 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.24 28.89 5.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.264 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.401 ' HB2' HD22 ' B' ' 127' ' ' LEU . 50.0 tp -92.45 -50.29 5.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.238 0.519 . . . . 0.0 111.123 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.463 -175.431 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.59 69.18 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.113 0.482 . . . . 0.0 109.93 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -104.89 -24.16 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 -38.65 33.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.15 134.45 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.38 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -93.47 169.99 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.104 -0.639 . . . . 0.0 109.867 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -56.17 -28.1 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 15.3 mm-40 -46.01 -65.15 0.59 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.351 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 16.3 m-20 -75.16 -28.23 60.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.557 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.72 -58.1 9.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -56.34 -31.38 63.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.974 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 83.0 mtp180 -61.16 -50.52 72.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.393 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' O ' HG12 ' A' ' 17' ' ' VAL . 41.5 t80 -73.87 -52.18 13.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.364 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.533 ' O ' HG21 ' A' ' 17' ' ' VAL . 15.2 mm-40 -55.11 -56.99 13.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.837 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.1 mmmt -58.74 -27.81 65.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp -72.22 -49.48 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.623 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.455 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 18' ' ' THR . 32.1 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.3 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.57 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG11 ' NH1' ' A' ' 40' ' ' ARG . 3.3 t -73.66 -27.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -75.1 -30.39 60.88 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.425 0.631 . . . . 0.0 110.016 173.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 42' ' ' VAL . 7.9 ttt180 -66.59 -23.81 66.24 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.058 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.582 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 11.3 mm100 -72.69 -37.7 67.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.428 171.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' NH1' HG11 ' A' ' 36' ' ' VAL . 6.6 mpt_? -64.02 -39.2 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.334 0.588 . . . . 0.0 109.606 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 26.9 mt -63.89 -25.58 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.336 177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.582 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 51.0 t -57.89 -46.31 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.682 0.277 . . . . 0.0 110.413 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.54 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.963 0.411 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -78.77 -32.83 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.98 33.52 0.84 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 113.677 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.32 -5.1 56.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.391 0.615 . . . . 0.0 110.184 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.31 12.78 0.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.061 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 26.4 mmtm -62.47 -30.67 71.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.59 0.233 . . . . 0.0 111.474 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.67 -34.32 88.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.177 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -148.85 88.96 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -82.13 98.87 8.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.273 0.559 . . . . 0.0 110.91 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 69.0 mt -103.31 12.19 35.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.85 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 52' ' ' LEU . 9.5 t30 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 123.391 0.676 . . . . 0.0 111.657 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -85.05 -171.3 0.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.797 2.331 . . . . 0.0 112.449 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -51.69 140.87 17.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.736 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . 0.456 ' H ' HG12 ' B' ' 93' ' ' VAL . . . -89.06 -72.33 1.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.178 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 18.6 m -111.78 -54.56 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.82 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 5.3 tpm_? -102.87 -73.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.749 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 72.5 ttt180 176.11 -80.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.498 0.499 . . . . 0.0 110.676 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -78.3 -41.83 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.549 -175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.18 -47.8 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.136 0.493 . . . . 0.0 111.033 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.456 HG12 ' H ' ' B' ' 87' ' ' GLY . 10.4 p -73.77 -19.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.702 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -71.92 -58.37 3.51 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.81 -179.156 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.38 -16.26 53.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.603 0.716 . . . . 0.0 109.951 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -75.64 -58.72 3.11 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.269 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.9 tmm_? -76.52 -51.4 11.78 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.059 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.5 mm-40 -58.69 -42.51 88.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.666 0.786 . . . . 0.0 112.745 -174.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 1.5 tm? -65.47 -55.79 15.99 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.31 -178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 11.9 pt20 -64.86 -26.38 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.292 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.656 ' O ' HG13 ' B' ' 105' ' ' VAL . 24.6 t80 -54.91 -47.0 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.105 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 6.1 ptp180 -68.9 -22.69 64.16 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.347 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.495 HG22 ' O ' ' B' ' 99' ' ' LEU . 3.8 t -77.02 -41.82 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.077 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.656 HG13 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.415 HD21 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.587 HG21 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.425 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.655 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.655 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 12.7 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.742 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.531 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.742 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.8 mt -64.12 -52.62 58.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.8 mt-10 -63.25 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' B' ' 123' ' ' LYS . 18.6 ptt180 -70.71 -18.22 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.651 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.5 -36.75 18.82 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 79.0 mt -55.14 -55.44 31.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.266 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.21 -10.25 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.497 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -93.38 1.53 56.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.24 4.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.739 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.538 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 1.0 OUTLIER -93.6 -48.2 6.46 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.838 176.33 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -143.19 -177.5 5.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 m -61.87 -48.84 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -51.01 6.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.0 mt -68.36 105.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.328 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -90.2 -169.6 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HA ' ' HB3' ' A' ' 10' ' ' GLU . 24.1 ttmm -64.4 -19.56 65.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.64 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -50.06 -64.59 0.76 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.391 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.49 -21.54 38.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.378 0.609 . . . . 0.0 110.071 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 32.8 tt0 -57.78 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -59.53 -28.78 67.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -64.9 -45.66 84.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' O ' HG11 ' A' ' 17' ' ' VAL . 18.6 t80 -62.15 -43.95 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 174.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' HG21 ' A' ' 17' ' ' VAL . 86.1 mm-40 -53.98 -53.39 53.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.289 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.556 ' O ' ' HB ' ' A' ' 18' ' ' THR . 14.1 mmmm -58.3 -33.46 69.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.501 175.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp -66.06 -47.11 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.592 HG11 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.777 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.608 ' O ' HD21 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.777 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HD2' HD12 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 t -70.7 -34.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.654 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -71.66 -27.51 63.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.784 176.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' O ' HG21 ' A' ' 42' ' ' VAL . 83.2 mtp180 -62.46 -36.05 81.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.541 174.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 11.7 mm100 -62.84 -36.57 83.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -64.72 -39.92 94.47 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 173.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.1 mt -66.65 -34.03 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.896 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 38' ' ' ARG . 79.1 t -54.34 -44.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.436 0.636 . . . . 0.0 109.712 171.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 37.2 mt-10 -70.46 -12.46 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 13.7 mtm180 -104.18 -26.98 12.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.995 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' HA3' ' HG2' ' A' ' 51' ' ' GLU . . . 76.46 35.39 41.99 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -172.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 22.6 t70 -62.52 -28.99 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.847 0.459 . . . . 0.0 112.038 -169.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.3 -23.05 54.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.711 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -109.23 -50.45 3.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.13 -56.93 0.57 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -153.59 120.18 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' HA3' ' A' ' 45' ' ' GLY . 12.8 mm-40 -73.48 111.8 8.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.8 mt -98.12 -24.11 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.588 -179.747 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -89.26 -172.5 0.66 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.798 2.332 . . . . 0.0 111.82 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -51.28 151.39 2.91 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.192 0.52 . . . . 0.0 111.483 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.15 10.43 63.44 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.484 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -85.3 11.85 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.885 0.374 . . . . 0.0 110.983 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.72 -19.68 63.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.95 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -84.6 73.14 10.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.69 ' O ' ' HB3' ' B' ' 95' ' ' ASP . 76.7 m-85 -53.65 -51.97 61.46 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.201 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -80.59 -33.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.76 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 48.5 t -62.08 -64.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.492 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.635 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 22.3 m-20 -90.05 -41.87 11.45 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.148 -172.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.759 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 8.0 t70 -56.57 -24.58 48.25 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.328 -0.857 . . . . 0.0 111.277 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -82.37 -70.44 0.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.882 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 97' ' ' ARG . 23.6 mtp180 -65.32 -50.42 65.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.938 0.875 . . . . 0.0 110.944 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.7 mm-40 -80.36 -39.78 27.84 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.132 -1.395 . . . . 0.0 113.075 -167.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.765 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.7 tm? -65.92 -48.47 71.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.608 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -62.41 -30.67 71.38 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.511 ' O ' HG11 ' B' ' 105' ' ' VAL . 77.9 t80 -66.32 -38.68 88.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.734 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.583 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 7.3 ptp180 -80.68 -22.16 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.313 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.765 HG23 ' O ' ' B' ' 99' ' ' LEU . 10.6 t -69.43 -43.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.406 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.592 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.6 mm-40 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.534 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.3 t-20 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 105' ' ' VAL . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.486 ' HZ1' ' HB2' ' B' ' 111' ' ' LYS . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 13.9 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.803 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.488 HD12 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.803 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.574 ' O ' HD12 ' B' ' 128' ' ' LEU . 80.7 mt -60.35 -52.37 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.2 mt-10 -54.52 -26.61 32.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.799 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -57.36 -53.51 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.79 -49.1 76.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.574 HD12 ' O ' ' B' ' 124' ' ' LEU . 10.0 mp -46.7 -64.21 0.82 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.058 0.543 . . . . 0.0 112.105 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.36 -36.0 74.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -67.7 -19.43 65.16 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -19.1 20.72 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.69 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -54.4 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.038 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.006 0.432 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -83.03 -13.31 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.146 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -69.39 -33.52 73.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.115 0.483 . . . . 0.0 110.558 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 -57.08 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.272 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -81.15 108.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -86.78 177.37 7.33 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 33.3 mtmt -63.38 -14.86 54.67 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 10.5 tp10 -56.57 -61.08 2.66 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.928 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -77.46 -44.56 28.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.01 -63.58 1.25 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.459 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 29.8 mm-40 -55.46 -32.82 63.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 5.2 mmp_? -68.28 -39.01 82.25 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' O ' HG13 ' A' ' 17' ' ' VAL . 17.2 t80 -76.61 -46.01 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.592 177.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' HG21 ' A' ' 17' ' ' VAL . 15.0 mm100 -54.08 -55.53 26.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.378 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 62.4 mmtt -60.12 -26.82 66.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.486 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp -69.51 -47.71 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 14' ' ' GLN . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.762 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.762 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HA ' HD13 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.534 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t -66.9 -39.72 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -57.16 -42.01 80.29 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.322 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' O ' HG21 ' A' ' 42' ' ' VAL . 36.7 mtp180 -57.55 -46.03 84.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.965 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 10.8 mm100 -61.17 -40.46 93.97 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.65 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -64.91 -40.94 95.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.452 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 45.5 mt -65.47 -27.58 68.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.849 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG21 ' O ' ' A' ' 38' ' ' ARG . 74.1 t -57.12 -43.91 82.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.613 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.16 -24.9 63.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -89.14 -30.4 18.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.449 0.642 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.26 83.57 1.74 Allowed Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.111 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -18.94 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.848 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -16.46 63.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.607 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.4 mmpt? -71.49 -19.1 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.664 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.51 148.71 24.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.726 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 m -147.42 89.21 1.76 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -116.11 107.31 14.75 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.3 mt -115.33 51.4 0.93 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.834 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.242 178.695 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.91 -0.076 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.75 -171.53 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.041 2.494 . . . . 0.0 112.308 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.618 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.68 99.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.43 0.633 . . . . 0.0 112.215 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.8 -21.13 79.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.024 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -76.61 -6.71 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -80.55 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.939 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -134.47 7.42 3.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 64.7 152.02 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.212 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 t -64.7 -17.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.545 0.688 . . . . 0.0 110.041 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.54 -44.14 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.395 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 18.1 t70 -74.08 -46.1 45.16 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.929 -174.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.58 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.9 p30 -65.27 -27.53 68.71 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -89.92 -71.9 0.59 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.786 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.1 tmt_? -69.98 -40.74 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.935 -173.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.657 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.1 mm-40 -80.48 -35.46 34.76 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.771 -173.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 3.1 tm? -71.94 -45.99 59.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.588 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 17.6 pt20 -62.96 -28.84 70.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.599 ' O ' HG12 ' B' ' 105' ' ' VAL . 59.9 t80 -53.88 -40.89 66.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.312 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 18.2 ptp180 -82.89 -22.66 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.11 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.559 HG22 ' O ' ' B' ' 99' ' ' LEU . 15.9 t -73.21 -43.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' B' ' 100' ' ' GLN . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.599 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.576 HG22 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.59 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.473 ' HZ3' ' HB2' ' B' ' 112' ' ' LYS . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.412 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 14.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.435 ' HD2' ' OE2' ' B' ' 125' ' ' GLU . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.484 ' O ' HD11 ' B' ' 128' ' ' LEU . 83.4 mt -60.44 -49.17 78.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.3 mt-10 -55.24 -32.76 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.189 0.306 . . . . 0.0 111.64 -176.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -69.18 -26.31 64.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.048 0.451 . . . . 0.0 111.04 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -40.99 22.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.827 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.495 ' HA ' ' OXT' ' B' ' 133' ' ' THR . 10.1 mp -48.98 -59.31 3.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 166.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 125' ' ' GLU . 44.8 mt-10 -57.33 -34.86 69.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.03 13.97 55.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.728 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.72 -50.2 5.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.164 0.507 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' THR . . . . . 0.495 ' OXT' ' HA ' ' B' ' 128' ' ' LEU . 25.9 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.247 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.71 0.29 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 2.5 p30 -139.1 121.91 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 110.492 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -111.64 -46.53 3.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.717 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.0 -40.0 14.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 109.885 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' ASP . 57.2 mt -80.72 147.02 6.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.207 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -103.5 176.04 5.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 3.6 ttmp? -64.07 -23.38 67.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.24 -49.99 16.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.138 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 17.7 t70 -66.94 -41.59 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.185 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.84 -56.15 11.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.095 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 10.7 mm-40 -56.37 -29.57 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.607 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 16.7 tpt180 -54.9 -54.93 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.51 174.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' O ' HG12 ' A' ' 17' ' ' VAL . 23.3 t80 -78.54 -51.02 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.462 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.5 mm-40 -55.32 -56.01 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 111.65 -174.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.0 mmmt -63.66 -25.49 68.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp -66.77 -45.69 77.7 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.779 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 42.5 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.779 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' HD23 ' A' ' 37' ' ' LEU . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.586 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.62 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t -72.87 -42.42 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.748 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.0 mm? -60.39 -31.81 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.652 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' HG21 ' A' ' 42' ' ' VAL . 25.4 ttt180 -68.42 -36.79 79.58 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.786 -176.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -79.61 -26.96 41.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.588 0.708 . . . . 0.0 109.238 176.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 33.4 mtp85 -66.55 -42.32 87.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.354 174.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 56.3 mt -59.03 -31.23 68.65 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.212 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 69.4 t -54.46 -47.08 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.76 -21.89 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.086 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -90.11 -28.47 18.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.83 46.22 14.63 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 12.1 t70 -69.99 -20.78 63.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -4.52 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.644 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 71.3 mmtt -66.35 -18.04 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.203 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.44 98.65 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.692 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -152.93 89.27 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 110.084 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.9 137.05 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -122.97 -138.35 0.31 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -175.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 120.992 0.425 . . . . 0.0 110.604 -175.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -86.55 -171.95 0.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.966 2.444 . . . . 0.0 112.56 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.611 ' H ' HD12 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.07 115.15 1.0 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.703 0.763 . . . . 0.0 112.448 178.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.42 -73.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.997 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -114.35 -40.58 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 111.634 176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -76.66 -30.85 56.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 0.0 111.236 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' B' ' 94' ' ' ASP . 77.4 mtt-85 52.06 30.09 7.1 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.894 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 t80 44.04 -102.36 0.05 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 124.202 0.939 . . . . 0.0 112.154 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 9.9 p -91.1 -21.27 6.57 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.126 -172.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.22 -53.67 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.0 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.1 t70 -71.4 -52.62 17.63 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.848 -178.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 11.4 t70 -63.42 -12.11 28.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.148 0.499 . . . . 0.0 111.22 -173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 74.4 ttt180 -82.3 -61.1 1.99 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 3.3 tmt_? -69.03 -53.09 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.55 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 76.2 mm-40 -64.03 -48.9 74.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.687 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.1 tm? -69.19 -46.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 26.8 pt20 -63.26 -31.95 73.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.337 0.589 . . . . 0.0 109.911 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.62 ' O ' HG13 ' B' ' 105' ' ' VAL . 25.5 t80 -63.61 -37.05 85.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.514 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 8.9 ptm180 -78.74 -21.51 47.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.053 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' B' ' 99' ' ' LEU . 8.8 t -75.17 -41.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' B' ' 101' ' ' TYR . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.62 HG13 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 16.0 t-20 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.478 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.542 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.71 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.518 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt -63.78 -51.9 62.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.2 mt-10 -55.5 -29.6 59.12 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 0.0 111.394 -177.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' B' ' 126' ' ' ARG . 2.7 mmp_? -55.89 -47.67 77.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.001 0.429 . . . . 0.0 110.028 173.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.38 -44.86 67.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.485 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.7 mp -47.48 -57.46 5.34 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 120.645 0.26 . . . . 0.0 111.403 172.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.14 -26.68 64.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.743 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 t -78.94 -14.44 59.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.53 25.57 4.57 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.492 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 29.8 tp -74.42 -44.64 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.098 0.449 . . . . 0.0 111.573 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.519 -176.481 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.578 0.227 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -103.56 50.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 111.744 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -89.17 -50.76 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.57 -39.19 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.559 0.695 . . . . 0.0 109.205 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.73 142.1 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.931 172.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -96.53 168.36 10.59 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HZ1' ' HB2' ' A' ' 7' ' ' LYS . 4.8 ttmp? -58.7 -24.33 61.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 14.4 tp10 -49.1 -56.94 7.55 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.61 176.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.88 -37.0 86.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.686 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.32 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -53.36 -36.14 61.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.209 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 29.4 mmt180 -61.98 -36.9 82.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.472 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' O ' HG13 ' A' ' 17' ' ' VAL . 24.9 t80 -78.97 -48.86 13.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.542 ' O ' HG21 ' A' ' 17' ' ' VAL . 15.5 mm100 -53.72 -55.9 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 60.6 mmtt -57.37 -31.82 66.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp -67.92 -48.04 67.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.587 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.621 ' O ' HD21 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.783 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.621 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.783 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 12.7 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.616 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD2' HD12 ' B' ' 121' ' ' ILE . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -71.61 -41.37 71.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.788 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.5 mm? -54.22 -42.61 70.01 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.269 175.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.662 ' O ' HG22 ' A' ' 42' ' ' VAL . 65.9 mtp180 -52.49 -53.48 45.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.65 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.64 -41.55 86.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.68 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.3 mt -66.21 -34.28 77.67 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.88 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -51.36 -49.06 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.644 0.259 . . . . 0.0 111.69 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.04 -36.09 81.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.978 0.418 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -70.93 -40.87 71.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.05 78.55 0.58 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -170.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.81 -26.95 66.19 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -171.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.86 70.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.87 0.367 . . . . 0.0 111.347 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -104.94 2.59 29.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.129 0.49 . . . . 0.0 110.213 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.77 111.31 2.65 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.961 -176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 m -112.96 89.2 3.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 109.835 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.68 133.31 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.743 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.3 mt -125.43 -10.0 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.269 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.12 -172.24 1.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.988 2.459 . . . . 0.0 112.724 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.06 138.13 0.88 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.986 0.804 . . . . 0.0 112.974 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.74 -70.09 1.02 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.902 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -110.12 -53.6 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.359 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 3.4 tpm_? -103.92 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.829 172.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.508 ' O ' HG21 ' B' ' 93' ' ' VAL . 79.1 ttt180 174.98 -59.47 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -58.13 -32.23 67.94 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -167.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.61 -41.92 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 111.676 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.508 HG21 ' O ' ' B' ' 90' ' ' ARG . 18.5 m -80.25 -21.72 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.365 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 6.5 m-20 -68.22 -57.71 5.58 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.254 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.4 p30 -64.84 -10.7 30.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.025 0.441 . . . . 0.0 110.548 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -81.65 -68.06 0.73 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . 0.449 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 3.3 tmm_? -66.68 -33.98 76.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.798 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.586 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 8.1 mm-40 -75.81 -44.45 41.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.865 0.364 . . . . 0.0 111.677 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' B' ' 102' ' ' ARG . 2.4 tm? -72.65 -43.07 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.533 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.75 -30.07 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.661 ' O ' HG11 ' B' ' 105' ' ' VAL . 63.7 t80 -59.3 -44.36 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.95 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.668 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.67 -21.64 63.51 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.502 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.526 HG22 ' O ' ' B' ' 99' ' ' LEU . 9.6 t -76.05 -44.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.661 HG11 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.556 HG21 ' O ' ' B' ' 105' ' ' VAL . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.478 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.785 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.785 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.659 ' O ' HD13 ' B' ' 128' ' ' LEU . 89.6 mt -68.11 -50.11 56.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 54.8 mt-10 -60.23 -33.61 72.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.667 ' O ' ' HB3' ' B' ' 130' ' ' SER . 10.0 ptm180 -70.5 -18.41 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.162 0.506 . . . . 0.0 110.164 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' B' ' 132' ' ' LEU . 0.1 OUTLIER -82.1 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.659 HD13 ' O ' ' B' ' 124' ' ' LEU . 7.4 mp -44.07 -65.51 0.5 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.06 0.944 . . . . 0.0 112.769 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.76 -36.65 21.6 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.667 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 33.2 t -95.01 -10.01 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.247 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.98 28.72 73.9 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.654 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' B' ' 127' ' ' LEU . 30.1 tp -50.18 -44.51 52.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.008 0.523 . . . . 0.0 111.552 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.139 179.287 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.612 0.244 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.71 -68.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -80.52 -4.91 55.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.062 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.81 -21.29 55.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.661 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -81.17 108.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.263 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -89.93 -169.84 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.215 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -72.29 -13.46 61.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.28 -55.69 30.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.983 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -39.13 93.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.469 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 35.2 tt0 -59.54 -62.87 1.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.429 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.99 -27.39 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.764 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.66 -43.96 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.98 0.419 . . . . 0.0 110.082 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.602 ' O ' HG12 ' A' ' 17' ' ' VAL . 38.2 t80 -78.09 -47.09 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.583 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.607 ' O ' HG21 ' A' ' 17' ' ' VAL . 15.5 mm100 -52.36 -55.59 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.597 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.5 mmtp -57.42 -34.32 68.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.621 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp -67.9 -45.68 73.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 14' ' ' GLN . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.471 HD21 HG12 ' B' ' 103' ' ' VAL . 21.1 t-20 -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.7 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.598 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE3' HG21 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.92 -40.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.726 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -62.32 -41.47 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 175.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.647 ' O ' HG21 ' A' ' 42' ' ' VAL . 5.3 ttt180 -63.45 -39.36 94.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.274 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 71.7 mm-40 -56.73 -44.25 81.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 111.278 172.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 80.7 mtp180 -59.03 -45.79 89.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.922 175.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 15.1 mt -62.41 -28.86 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.981 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.647 HG21 ' O ' ' A' ' 38' ' ' ARG . 80.5 t -59.79 -50.05 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 110.49 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.33 -29.49 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 98.9 mtt180 -73.63 -20.45 60.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 110.507 174.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 32.7 20.08 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.121 -0.945 . . . . 0.0 113.018 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -64.78 -30.16 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.808 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.64 68.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 72.5 mmtt -91.95 -6.78 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.645 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.1 -15.31 81.49 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.0 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -121.17 107.75 12.96 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.8 -165.94 0.41 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.93 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 76.22 2.36 3.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.517 0.727 . . . . 0.0 111.274 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.167 0.987 . . . . 0.0 112.288 -177.369 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 CA-C-O 120.298 -0.168 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.65 -172.58 1.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.806 2.337 . . . . 0.0 113.259 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -41.5 112.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.691 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.99 -55.92 0.53 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.515 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 m -87.88 -31.88 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.569 0.223 . . . . 0.0 110.74 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 10.0 mpt_? -59.61 -69.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 58.04 51.23 9.04 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.992 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 64.5 -168.24 0.21 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.91 -15.82 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 0.0 110.315 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.06 -65.42 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.609 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.0 OUTLIER -76.11 -42.55 46.72 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.381 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.9 m-20 -50.39 -24.41 3.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.677 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -79.28 -68.77 0.63 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.53 -46.58 53.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.296 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.8 mm-40 -66.55 -37.97 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.114 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 2.7 tm? -74.11 -50.03 21.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.36 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.408 HE21 ' C ' ' B' ' 100' ' ' GLN . 0.0 OUTLIER -62.59 -31.95 72.87 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.328 -178.787 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.579 ' O ' HG11 ' B' ' 105' ' ' VAL . 90.7 t80 -53.91 -50.52 66.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.06 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.548 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 28.5 ptt180 -65.37 -24.79 67.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 0.0 110.747 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 99' ' ' LEU . 4.1 t -72.88 -42.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.483 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.593 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.593 HG21 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.503 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 15.0 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.784 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.621 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.6 mt -67.19 -37.9 84.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 91.0 mt-10 -63.78 -31.47 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.26 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 83.2 mtp180 -65.09 -31.79 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.211 0.529 . . . . 0.0 109.924 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 8.5 tp -70.9 -48.19 55.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.689 174.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 62.8 mt -60.19 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.829 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.23 -35.13 79.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.244 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -75.21 -8.57 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.403 . . . . 0.0 110.774 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.86 29.09 63.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.144 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.473 ' O ' HD11 ' B' ' 132' ' ' LEU . 0.5 OUTLIER -79.88 -34.77 38.89 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.022 176.499 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.793 0.33 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -117.11 145.24 43.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -92.37 -44.12 8.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.374 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.21 -48.25 36.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.9 mt -84.11 98.33 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -94.67 -177.17 4.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -57.87 -27.34 63.17 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 109.639 175.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.11 -51.33 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.547 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 9.1 t70 -76.01 -29.19 58.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.413 0.625 . . . . 0.0 109.823 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.64 -61.64 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.644 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.03 -30.5 59.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.443 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 60.2 ttp85 -55.48 -46.69 76.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.818 0.342 . . . . 0.0 110.446 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 t80 -70.52 -47.91 58.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.594 ' O ' HG21 ' A' ' 17' ' ' VAL . 15.7 mm100 -54.7 -56.64 17.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.658 -178.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.8 mmmt -57.41 -30.16 64.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.247 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp -67.17 -43.13 83.0 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 p30 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 18' ' ' THR . 23.2 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.676 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.607 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD2' HD11 ' B' ' 121' ' ' ILE . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.46 -38.49 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.792 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.1 mm? -59.23 -42.23 90.56 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.488 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 42' ' ' VAL . 34.7 ttt180 -63.29 -42.24 99.06 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.875 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.8 mm-40 -61.56 -45.62 93.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.861 172.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -57.38 -40.04 77.32 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.044 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.9 mt -72.99 -21.89 60.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.961 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 38' ' ' ARG . 75.2 t -59.22 -42.38 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.16 0.505 . . . . 0.0 109.852 174.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.51 -4.95 59.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.55 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -30.27 22.91 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 170.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.73 4.96 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.562 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 48' ' ' LYS . 26.9 t70 -79.98 0.02 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.783 0.801 . . . . 0.0 109.792 178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.02 12.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.66 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 46' ' ' ASP . 71.2 mmtt -67.28 -24.06 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.044 0.45 . . . . 0.0 110.272 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.46 -94.3 0.33 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.0 m -146.3 89.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.354 0.597 . . . . 0.0 110.789 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -143.35 89.69 2.11 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' HB2' ' H ' ' A' ' 53' ' ' ASN . 12.1 mt -91.0 -80.85 0.33 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.488 -174.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.412 ' H ' ' HB2' ' A' ' 52' ' ' LEU . 16.7 m120 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.812 -0.115 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.455 ' O ' ' HZ ' ' B' ' 91' ' ' PHE . 82.5 Cg_endo -83.32 -169.94 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.542 2.828 . . . . 0.0 112.24 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.626 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.8 131.43 14.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 111.774 175.534 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.94 2.23 88.39 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.609 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -66.07 -10.43 40.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.412 ' HE ' ' HB2' ' B' ' 89' ' ' ARG . 16.4 mtm180 -82.28 -18.53 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 68.83 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.905 0.753 . . . . 0.0 110.208 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.537 ' HA ' ' OD1' ' B' ' 94' ' ' ASP . 57.9 m-85 -61.74 -25.66 67.58 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.354 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.01 -31.63 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.24 -51.53 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.71 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 3.8 p30 -75.54 -26.3 57.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.568 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.3 OUTLIER -72.6 -24.0 61.02 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.843 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -86.28 -71.33 0.55 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.18 -175.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -76.56 -40.82 48.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.71 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 31.8 mt-10 -77.67 -34.15 53.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.992 -173.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.758 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.8 tm? -76.24 -45.83 31.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.987 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.08 -32.7 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.067 0.461 . . . . 0.0 110.298 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.614 ' O ' HG11 ' B' ' 105' ' ' VAL . 54.6 t80 -59.81 -43.77 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.962 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 1.3 ptm180 -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.373 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.589 HG22 ' O ' ' B' ' 99' ' ' LEU . 11.4 t -73.2 -44.46 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.837 -177.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 101' ' ' TYR . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.614 HG11 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.429 ' O ' HD11 ' A' ' 23' ' ' LEU . 3.2 t-20 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.812 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.812 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.638 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 85.1 mt -63.14 -57.64 9.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.1 mt-10 -61.22 -36.79 80.88 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.683 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.51 -30.68 29.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.698 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 61.4 mt -58.47 -57.52 12.58 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.27 0.557 . . . . 0.0 110.138 174.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.92 -40.39 84.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 35.0 t -67.87 -39.98 83.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.89 28.1 3.52 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.204 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.92 -25.15 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 110.6 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' THR . . . . . 0.453 ' HB ' HD21 ' B' ' 128' ' ' LEU . 7.3 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.705 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.704 0.287 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 63.11 97.14 0.04 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.639 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -104.4 12.3 33.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.27 -58.77 1.89 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.024 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mt -85.34 128.12 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.001 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -99.35 -174.68 2.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.69 -25.85 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.651 -0.42 . . . . 0.0 109.99 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -48.7 -68.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.319 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.09 -22.05 56.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.59 -61.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.17 -34.42 66.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.636 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -57.66 -50.91 71.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.422 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.1 t80 -63.59 -46.37 86.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.793 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.599 ' O ' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.5 -53.55 52.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.581 -178.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 64.0 mmtt -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.803 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp -70.29 -45.53 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG21 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' O ' HD21 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 32' ' ' GLU . 21.7 t -67.84 -36.76 76.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -65.77 -35.91 82.05 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.928 174.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' O ' HG22 ' A' ' 42' ' ' VAL . 88.0 mtt180 -59.88 -35.07 74.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.935 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 12.1 mm100 -65.71 -40.68 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.029 174.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -57.59 -41.67 81.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.278 0.561 . . . . 0.0 109.572 172.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.5 mt -69.63 -23.17 63.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.613 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -65.26 -46.4 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 109.874 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.519 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.69 -40.21 96.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.155 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.96 -6.78 35.18 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.955 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.42 -26.69 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.411 -0.394 . . . . 0.0 111.433 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.16 -0.23 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.222 0.534 . . . . 0.0 110.408 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -98.18 2.23 48.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.488 0.661 . . . . 0.0 109.98 -177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.62 -24.97 68.74 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.563 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -129.62 117.71 20.82 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.831 0.824 . . . . 0.0 109.911 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.49 93.86 8.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.033 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.1 mt -92.5 -13.09 30.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.843 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.245 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 113.3 0.08 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.73 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.305 2.67 . . . . 0.0 112.991 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' B' ' 88' ' ' SER . 0.4 OUTLIER -44.26 154.64 0.11 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.696 0.76 . . . . 0.0 112.902 177.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 16.51 5.77 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.712 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.521 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 43.2 m -65.59 1.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -72.25 -24.95 61.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.576 ' O ' HG11 ' B' ' 93' ' ' VAL . 56.6 mtp180 -109.83 87.19 2.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.403 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 88.4 m-85 -58.21 -18.35 25.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.715 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.54 -37.12 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.775 0.322 . . . . 0.0 111.094 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.576 HG11 ' O ' ' B' ' 90' ' ' ARG . 9.1 p -78.82 -25.41 13.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.374 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.701 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 44.3 m-20 -59.73 -69.12 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -57.32 -21.23 33.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 38.7 ttm180 -80.84 -68.53 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.209 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -71.61 -45.6 61.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.701 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 34.3 mm-40 -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -172.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.645 ' O ' HG22 ' B' ' 103' ' ' VAL . 2.5 tm? -62.36 -55.5 27.38 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.112 -177.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 24.7 pt20 -64.42 -28.5 69.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.663 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.522 ' O ' HG13 ' B' ' 105' ' ' VAL . 60.4 t80 -67.9 -44.12 77.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 177.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 3.9 ptp180 -63.4 -26.75 68.89 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.295 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.645 HG22 ' O ' ' B' ' 99' ' ' LEU . 5.3 t -70.1 -42.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.521 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.684 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.7 t-20 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.451 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.805 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.577 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.805 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.4 mt -66.37 -49.04 68.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.7 mt-10 -68.16 -32.68 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 13.1 ptm180 -64.18 -31.47 72.68 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.44 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 44.6 tp -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.831 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.1 mt -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.101 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' B' ' 130' ' ' SER . 3.8 pt-20 -72.66 -39.25 67.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.23 -170.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.476 ' N ' ' HG3' ' B' ' 129' ' ' GLU . 11.0 t -81.96 -21.93 36.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.843 0.354 . . . . 0.0 111.642 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.15 56.61 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.886 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . 0.407 ' HB3' HD12 ' B' ' 127' ' ' LEU . 29.8 tp -54.74 -69.55 0.13 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.848 -178.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 63.82 76.7 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.742 0.651 . . . . 0.0 111.319 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.73 41.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.218 0.532 . . . . 0.0 110.647 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 9' ' ' ASP . 44.3 mt -84.01 124.78 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -96.01 -177.93 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HG2' ' CG ' ' A' ' 11' ' ' GLU . 24.4 tttp -62.36 -27.95 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -49.84 -65.63 0.53 Allowed 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.324 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' HB3' HG21 ' A' ' 5' ' ' ILE . 23.8 t0 -65.78 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.69 -62.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.598 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 27.1 mm-40 -56.95 -36.21 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.911 -177.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -65.52 -36.86 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.614 ' O ' HG12 ' A' ' 17' ' ' VAL . 20.3 t80 -69.18 -45.84 68.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.138 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.656 ' O ' HG23 ' A' ' 17' ' ' VAL . 29.7 mm-40 -53.16 -56.06 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.385 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.2 mmmt -57.62 -34.48 69.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.43 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' HG12 ' B' ' 103' ' ' VAL . 15.9 tp -66.97 -44.24 81.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 14' ' ' GLN . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.71 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 17' ' ' VAL . 4.9 p30 -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.71 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' B' ' 110' ' ' TYR . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HA ' HD11 ' A' ' 27' ' ' ILE . 9.3 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 24' ' ' GLN . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t -69.85 -35.73 66.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.707 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -68.16 -27.12 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.362 174.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 40.9 mmt180 -57.0 -45.93 82.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 31.2 mm-40 -57.73 -41.77 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.039 176.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' B' ' 133' ' ' THR . 0.0 OUTLIER -58.79 -39.02 79.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 174.837 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.1 mt -81.73 -16.64 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.691 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -62.53 -40.37 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 169.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.82 -17.4 59.86 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.627 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 1.3 ptm180 -89.02 -33.25 17.23 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.481 0.658 . . . . 0.0 109.235 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.92 21.26 7.54 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.688 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.15 -30.59 43.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.38 0.61 . . . . 0.0 110.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.65 -2.94 18.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.461 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.42 -25.81 54.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.063 0.459 . . . . 0.0 110.2 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.76 118.93 6.27 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.8 m -115.4 98.07 6.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.91 134.55 43.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.992 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.31 66.78 9.88 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.337 0.589 . . . . 0.0 110.736 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.594 178.774 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.34 -170.37 0.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.915 2.41 . . . . 0.0 110.931 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' B' ' 89' ' ' ARG . 0.2 OUTLIER -42.81 110.37 0.18 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.596 0.712 . . . . 0.0 111.983 175.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.78 -0.82 85.97 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.109 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.506 ' HB3' HD12 ' B' ' 86' ' ' LEU . 39.4 ttm180 -101.17 -43.73 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 49.63 55.55 9.21 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.424 0.452 . . . . 0.0 110.306 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . 0.676 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 47.2 p90 -66.59 -12.3 57.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 95.5 t -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.846 -0.534 . . . . 0.0 110.014 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.68 -51.15 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.7 m-20 -65.72 -54.69 23.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . 0.676 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 12.7 m-20 -64.77 -3.83 3.71 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 17.3 tpp180 -77.06 -65.96 0.88 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -75.27 -43.74 49.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.393 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 18.1 mm-40 -69.11 -38.25 78.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.453 -172.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.727 ' O ' HG22 ' B' ' 103' ' ' VAL . 1.7 tm? -62.04 -56.84 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -62.56 -29.43 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.534 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.425 ' O ' HG13 ' B' ' 105' ' ' VAL . 73.5 t80 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 175.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.562 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 16.8 ptt180 -68.79 -21.07 64.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.937 -175.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.727 HG22 ' O ' ' B' ' 99' ' ' LEU . 27.1 t -68.38 -46.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.335 -0.146 . . . . 0.0 111.075 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.478 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.579 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.858 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.666 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.417 ' HA ' ' OE1' ' B' ' 125' ' ' GLU . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.858 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.582 ' O ' HD12 ' B' ' 128' ' ' LEU . 67.8 mt -60.16 -44.53 94.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.666 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 51.4 mt-10 -55.69 -32.43 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.773 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 5.3 ptp180 -70.77 -24.51 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.235 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.93 -57.59 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 124' ' ' LEU . 9.3 mp -45.0 -66.69 0.36 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -84.98 -37.2 20.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.659 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 27.4 t -91.48 -26.09 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.309 -173.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.13 30.08 15.44 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.868 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.0 tp -47.95 -46.0 31.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 112.065 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' THR . . . . . 0.463 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 25.6 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.011 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 56.84 48.86 15.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -96.15 8.03 44.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.918 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.86 91.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.285 0.564 . . . . 0.0 109.571 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.3 mt -90.81 99.23 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.69 171.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -103.18 -172.92 2.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -56.79 -31.06 64.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.08 -46.72 75.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.757 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.55 -41.52 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 29.0 tt0 -63.59 -55.37 24.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.09 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.84 -42.98 59.01 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.395 0.434 . . . . 0.0 110.763 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -62.13 -46.28 89.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.423 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.0 t80 -64.65 -51.57 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.076 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 17' ' ' VAL . 32.8 mt-30 -53.77 -52.36 60.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.772 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 14.1 mmmm -61.91 -31.55 71.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.418 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp -62.74 -51.72 66.04 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.686 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD21 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.6 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.686 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.7 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' CD2' ' HA ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.454 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.3 mm100 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.645 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.87 -44.21 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.1 mm? -63.24 -34.76 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.569 176.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' O ' HG23 ' A' ' 42' ' ' VAL . 23.8 ttt180 -68.92 -34.52 75.52 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.363 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 12.3 mm100 -59.01 -39.87 83.18 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' HD3' ' OXT' ' B' ' 133' ' ' THR . 0.0 OUTLIER -59.44 -43.88 93.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 9.8 mt -70.48 -23.21 62.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.66 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -60.47 -49.04 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.702 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.11 -27.44 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -79.14 -27.61 42.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.802 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 -0.36 76.18 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.493 -175.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.32 -0.01 47.8 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.689 0.395 . . . . 0.0 110.998 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.43 -23.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.28 0.562 . . . . 0.0 110.047 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -96.76 -51.18 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.539 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.51 48.61 80.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.563 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.0 m -143.56 109.36 5.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.891 0.377 . . . . 0.0 110.395 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.67 120.54 9.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.092 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 52' ' ' LEU . 1.5 pt? -145.08 100.67 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.221 0.534 . . . . 0.0 110.208 -178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.689 179.66 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.97 -171.51 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.814 2.343 . . . . 0.0 111.845 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.465 0.65 . . . . 0.0 111.8 175.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 12.42 31.65 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.915 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -97.47 13.61 29.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.303 0.573 . . . . 0.0 110.213 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -69.1 -67.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.418 ' HA ' ' HB3' ' B' ' 94' ' ' ASP . 37.3 mmt180 51.41 -104.13 0.16 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.32 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 7.7 t80 69.32 175.97 0.28 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.336 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 -36.72 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.06 -48.41 81.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.891 0.377 . . . . 0.0 111.587 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.4 t0 -74.94 -46.83 32.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -65.35 -7.12 12.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.041 0.448 . . . . 0.0 111.585 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 2.7 tpm_? -72.46 -65.51 0.77 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -72.4 -53.17 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.585 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 4.7 mm-40 -59.98 -44.92 94.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.687 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 3.0 tm? -62.81 -55.66 24.36 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.367 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 26.3 pt20 -65.3 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.432 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.698 ' O ' HG13 ' B' ' 105' ' ' VAL . 63.7 t80 -64.14 -39.56 94.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 12.9 ptm180 -73.65 -21.62 60.22 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.59 0.233 . . . . 0.0 110.56 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 99' ' ' LEU . 5.4 t -75.99 -49.22 26.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.511 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.698 HG13 ' O ' ' B' ' 101' ' ' TYR . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.615 HG21 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.473 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.645 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.817 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 128' ' ' LEU . 64.0 mt -63.59 -43.16 97.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.6 mt-10 -62.5 -21.18 65.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' B' ' 130' ' ' SER . 16.1 mmm180 -70.02 -26.32 63.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.201 0.524 . . . . 0.0 109.869 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.57 -63.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.918 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.9 mp -41.52 -61.16 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.933 0.771 . . . . 0.0 112.549 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -43.53 11.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 22.7 t -96.35 -7.93 33.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -168.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.71 30.28 74.52 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.459 175.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.15 -45.86 53.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.581 0.352 . . . . 0.0 111.291 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' THR . . . . . 0.448 ' OXT' ' HD3' ' A' ' 40' ' ' ARG . 22.0 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.984 -0.531 . . . . 0.0 111.013 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.361 0.124 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 67.52 -78.13 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.583 0.753 . . . . 0.0 111.947 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 m -81.12 4.49 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 111.738 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.95 -15.18 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.56 0.695 . . . . 0.0 109.859 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mt -90.36 115.08 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.513 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -87.33 -176.51 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 40.3 tttp -67.49 -15.46 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 35.8 mm-40 -51.24 -61.94 1.92 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.653 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.29 -40.83 82.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.541 0.525 . . . . 0.0 111.23 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.55 -63.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.197 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.473 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 34.8 mm-40 -63.5 -19.29 64.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.604 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 27.6 ttm180 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' HG12 ' A' ' 17' ' ' VAL . 16.0 t80 -80.67 -51.27 8.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 177.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.1 mm100 -53.02 -59.0 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.896 0.379 . . . . 0.0 111.862 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.4 mmtp -61.25 -28.95 69.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.368 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 20.4 tp -63.49 -43.64 96.68 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.713 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.419 HD21 HG11 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.713 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.458 ' N ' HD21 ' A' ' 23' ' ' LEU . 4.0 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG22 ' HG2' ' B' ' 120' ' ' GLU . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -79.53 -39.11 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.1 mm? -53.41 -46.15 69.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.267 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.3 ptm180 -61.22 -39.33 89.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.301 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 11.1 mm100 -69.42 -38.21 77.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.58 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 51.2 mtt180 -61.75 -41.97 98.36 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.766 177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.5 mt -65.86 -26.11 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.262 177.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 72.0 t -59.3 -44.19 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.303 0.573 . . . . 0.0 110.261 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.95 -15.7 62.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 25.9 mtm180 -102.57 -30.22 11.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 0.0 111.003 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 78.8 1.18 Allowed Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.072 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.92 -24.77 64.6 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.01 84.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -93.95 -25.29 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.657 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -159.93 26.66 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 t -170.93 135.24 1.03 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.952 0.406 . . . . 0.0 109.964 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -75.81 123.8 26.23 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -140.99 27.09 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.567 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.87 -171.97 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.573 2.182 . . . . 0.0 112.323 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.64 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.92 128.3 15.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.239 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.24 -12.06 34.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.6 m -109.98 19.65 18.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 110.541 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -52.0 -62.18 1.79 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.422 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 82.9 mtm180 -96.17 41.68 1.1 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.169 0.509 . . . . 0.0 110.128 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 64.36 -171.21 0.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.016 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . 0.645 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 39.0 t -74.6 -42.31 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.601 0.239 . . . . 0.0 110.538 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.99 -60.93 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.949 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.8 OUTLIER -67.92 -65.73 0.66 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.651 -176.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -3.19 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -169.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' B' ' 92' ' ' VAL . 0.0 OUTLIER -77.54 -60.0 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 171.043 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -71.3 -49.52 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.654 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 3.7 mm-40 -55.77 -44.32 77.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.023 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.68 ' O ' HG22 ' B' ' 103' ' ' VAL . 3.0 tm? -67.59 -55.46 13.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 -176.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -61.69 -30.82 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.642 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.586 ' O ' HG13 ' B' ' 105' ' ' VAL . 67.6 t80 -67.48 -37.42 82.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.024 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.666 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 16.5 ptm180 -77.07 -24.86 51.9 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.68 HG22 ' O ' ' B' ' 99' ' ' LEU . 13.0 t -68.93 -44.46 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.456 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.605 ' O ' HG22 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.605 HG22 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.505 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.829 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.572 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.829 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.431 ' O ' HD12 ' B' ' 128' ' ' LEU . 69.9 mt -59.41 -48.7 80.64 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.9 mt-10 -52.77 -31.66 39.54 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.361 0.413 . . . . 0.0 111.582 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' B' ' 130' ' ' SER . 2.4 mpt_? -65.53 -25.46 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.303 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.1 mp -88.8 -46.62 8.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.109 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.5 mp -47.02 -63.55 1.01 Allowed 'General case' 0 N--CA 1.457 -0.076 0 CA-C-O 120.932 0.396 . . . . 0.0 111.672 172.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.73 -14.39 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.919 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' B' ' 126' ' ' ARG . 17.2 t -81.97 -13.29 57.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.477 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 90.08 21.72 37.94 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.119 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -94.54 -53.02 4.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.79 0.328 . . . . 0.0 110.169 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.798 -176.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -139.71 132.57 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.447 -177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -98.12 -4.76 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.76 -16.58 53.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.164 0.506 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG22 ' HB3' ' A' ' 9' ' ' ASP . 48.6 mm -59.15 119.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -107.73 -172.13 2.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.379 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.07 -28.37 64.5 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.07 -53.29 21.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.842 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.522 ' HB3' HG22 ' A' ' 5' ' ' ILE . 16.5 t70 -82.58 -36.99 25.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.122 0.487 . . . . 0.0 110.95 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -68.94 -64.21 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.611 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -35.06 78.28 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.102 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -64.87 -38.81 92.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' O ' HG11 ' A' ' 17' ' ' VAL . 23.0 t80 -67.89 -52.61 34.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.232 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.584 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.7 mm-40 -55.24 -53.91 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.745 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.1 mmmt -55.8 -34.22 65.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp -68.6 -42.38 78.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 10.1 p30 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.614 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' HA ' HD11 ' A' ' 27' ' ' ILE . 3.2 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 12.8 mm100 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -62.88 -36.67 76.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.8 mm? -76.08 -26.26 56.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.082 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.5 mmt180 -61.63 -38.75 88.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.496 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 10.8 mm100 -60.84 -40.17 91.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 175.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -60.75 -41.29 95.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.15 0.5 . . . . 0.0 109.859 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.4 mt -69.66 -24.93 63.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.41 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 38' ' ' ARG . 53.1 t -62.83 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 109.772 173.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.06 -36.15 81.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.529 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -72.79 -33.75 66.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.874 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.18 -5.02 49.01 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.972 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.16 -31.0 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.364 0.266 . . . . 0.0 111.166 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . . . -96.7 6.41 48.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 110.184 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -97.58 -35.78 10.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.306 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.53 -89.3 1.03 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.709 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -151.16 104.9 3.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.463 . . . . 0.0 109.847 177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 112.82 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.66 44.13 0.33 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.504 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.244 -177.312 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -86.52 -171.53 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.714 2.276 . . . . 0.0 111.696 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.622 HD11 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -52.14 131.43 32.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.486 0.66 . . . . 0.0 111.683 177.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.16 -10.16 85.8 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.753 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 25.7 t -82.36 19.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.368 0.604 . . . . 0.0 110.346 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -76.44 -15.47 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 94' ' ' ASP . 52.9 mtt180 -77.13 -94.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 61.86 -167.71 0.2 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.513 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.15 -45.5 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.314 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.13 -46.74 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' B' ' 90' ' ' ARG . 4.7 m-20 -78.29 -49.73 13.14 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.144 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -66.41 -4.14 7.57 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.11 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 73.3 ttt180 -83.1 -68.85 0.67 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.43 -40.61 96.07 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.8 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 7.0 mm-40 -66.01 -45.84 80.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.617 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.9 tm? -62.87 -49.52 74.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 11.5 mm100 -47.65 -43.68 26.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.664 0.268 . . . . 0.0 111.697 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' TYR . . . . . 0.658 ' O ' HG13 ' B' ' 105' ' ' VAL . 90.7 t80 -63.64 -43.73 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.619 -176.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ARG . . . . . 0.595 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 10.9 ptp180 -64.56 -29.39 70.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.542 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 99' ' ' LEU . 3.9 t -70.15 -41.98 79.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.658 HG13 ' O ' ' B' ' 101' ' ' TYR . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.553 HG21 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' TYR . . . . . 0.419 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . 0.656 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.651 ' HZ2' HD23 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 98.7 mt -66.51 -44.59 82.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 34.8 mt-10 -62.0 -32.61 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.273 0.358 . . . . 0.0 111.02 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 7.6 mmp_? -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.26 0.552 . . . . 0.0 109.541 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -37.65 80.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.903 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 77.1 mt -55.52 -54.48 43.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.229 0.537 . . . . 0.0 110.321 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.98 -22.93 67.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.296 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 19.8 t -83.67 -4.9 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.727 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.94 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.595 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.1 tp -76.4 -46.46 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.264 0.532 . . . . 0.0 111.129 177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.844 -0.598 . . . . 0.0 110.597 -178.334 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 11.6 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 28' ' ' THR . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' HD22 ' B' ' 124' ' ' LEU . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.465 HG12 ' HG ' ' A' ' 16' ' ' LEU . 4.2 t . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.676 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.548 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.638 HG13 ' HE3' ' B' ' 112' ' ' LYS . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.638 ' HE3' HG13 ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 27' ' ' ILE . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.814 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.597 HD11 HG13 ' A' ' 34' ' ' ILE . 62.9 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.53 0.205 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.787 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HD22 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.787 ' HG3' ' O ' ' A' ' 18' ' ' THR . 14.1 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 27' ' ' ILE . 20.4 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.559 HG23 HD11 ' B' ' 117' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HG3' HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.9 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' A' ' 16' ' ' LEU . 24.2 t . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.704 -0.109 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.613 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.424 ' O ' HD11 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.98 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.512 HD11 ' HG3' ' A' ' 30' ' ' LYS . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.98 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.619 ' O ' HD22 ' A' ' 23' ' ' LEU . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 p-10 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' THR . 68.7 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.583 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t30 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.451 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.773 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.773 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.73 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.648 ' O ' HD22 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.735 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 p-10 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.73 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 29.7 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 11.7 mm100 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.508 HG23 ' HD3' ' B' ' 123' ' ' LYS . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.489 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 65.9 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 34' ' ' ILE . 47.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.712 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.685 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.743 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 18.4 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 13.6 mm100 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 16' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.331 0.11 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.559 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 27' ' ' ILE . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.543 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.7 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.476 HD11 HG13 ' A' ' 34' ' ' ILE . 77.9 mt . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 17' ' ' VAL . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 19.3 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 16' ' ' LEU . 8.1 t . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 19' ' ' GLU . 3.8 t30 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.432 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 23' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 84.7 mt . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.656 0.265 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.766 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.766 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 HD21 ' B' ' 117' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.639 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 32' ' ' GLU . 39.3 t . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.464 HG12 ' HG ' ' A' ' 16' ' ' LEU . 21.5 t . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.527 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.689 HG13 ' HE3' ' B' ' 112' ' ' LYS . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.555 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.689 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.417 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.777 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.777 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 34' ' ' ILE . 76.7 mt . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.623 0.249 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.795 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HD22 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.795 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.2 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.461 HG22 ' HG3' ' A' ' 31' ' ' GLU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 32' ' ' GLU . 27.9 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.497 HG12 ' HG ' ' A' ' 16' ' ' LEU . 38.3 t . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.441 0.163 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.652 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.567 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 121' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.634 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.2 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.0 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.496 HG12 ' HG ' ' A' ' 16' ' ' LEU . 3.8 t . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.571 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.488 HD22 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.453 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 49.9 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.735 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.414 HD12 HD12 ' B' ' 124' ' ' LEU . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 80.8 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.789 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.622 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' HD11 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.1 t . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.489 HG12 ' HG ' ' A' ' 16' ' ' LEU . 10.6 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.701 0.286 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.639 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.571 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' B' ' 104' ' ' GLU . 5.7 t30 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.578 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 52.4 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.813 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.56 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.813 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 34' ' ' ILE . 80.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.765 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.765 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.558 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.557 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.536 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' B' ' 109' ' ' VAL . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 121' ' ' ILE . 83.4 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 ' H ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD22 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.786 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 48.3 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.786 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 20' ' ' ASN . 8.8 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.697 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt . . . . . 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.657 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.808 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.808 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 41.1 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' HD22 ' B' ' 124' ' ' LEU . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' B' ' 120' ' ' GLU . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 16' ' ' LEU . 9.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.596 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.503 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.546 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.787 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.493 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.787 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 34' ' ' ILE . 89.6 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.76 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.0 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.574 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.52 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 60.6 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 1.5 p-10 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 18' ' ' THR . 90.4 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 117' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 9.8 mm-40 -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.439 HG12 ' HG ' ' A' ' 16' ' ' LEU . 11.4 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.536 0.208 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.588 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.58 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.443 ' O ' HD11 ' A' ' 23' ' ' LEU . 23.6 t30 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.405 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.804 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.804 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 121' ' ' ILE . 85.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' ILE . 12.7 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.501 HG23 ' HD3' ' B' ' 123' ' ' LYS . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.7 t . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.425 HG12 ' HG ' ' A' ' 16' ' ' LEU . 5.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.526 0.203 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.624 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.446 ' O ' HD11 ' A' ' 23' ' ' LEU . 5.3 t30 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.471 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.799 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.799 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' B' ' 104' ' ' GLU . 15.9 tp . . . . . 0 C--O 1.236 0.377 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.72 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' HD22 ' A' ' 23' ' ' LEU . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.477 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.72 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 27' ' ' ILE . 18.1 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 23' ' ' LEU . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 117' ' ' LEU . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.538 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.542 HG12 ' HG ' ' A' ' 16' ' ' LEU . 27.1 t . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.212 0.053 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.545 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.59 HD11 HG23 ' A' ' 27' ' ' ILE . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.857 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.442 HD11 ' CE ' ' A' ' 30' ' ' LYS . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.857 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 34' ' ' ILE . 67.8 mt . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.697 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HD22 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.6 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' GLN . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.3 mm-40 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.4 HG11 HG12 ' A' ' 17' ' ' VAL . 5.4 t . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.629 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.59 ' O ' HG23 ' B' ' 109' ' ' VAL . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.818 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.51 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.818 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 34' ' ' ILE . 64.0 mt . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' B' ' 104' ' ' GLU . 20.4 tp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.719 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.636 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.438 HD22 HG13 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.6 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 HG23 ' HD3' ' B' ' 123' ' ' LYS . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 20' ' ' ASN . 13.0 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.578 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' OD1' ' A' ' 20' ' ' ASN . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.824 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.459 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.824 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 34' ' ' ILE . 69.9 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 1.4 p-10 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 27' ' ' ILE . 12.4 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 74.3 mm-40 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 104' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.53 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' TYR . . . . . 0.45 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . 0.672 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' GLN . . . . . 0.672 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.495 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 98.7 mt . . . . . 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 11.1 t70 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -83.59 -24.4 31.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.57 -50.21 4.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.976 0.417 . . . . 0.0 110.138 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 60.6 mt -75.09 99.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -96.79 -171.85 2.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.045 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.09 -32.35 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.3 mm-40 -52.05 -63.26 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.629 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.57 -33.45 73.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.963 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 32.6 tt0 -66.54 -59.61 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.35 -43.22 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.747 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 97.2 mtt180 -61.73 -38.37 87.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' HG13 ' A' ' 17' ' ' VAL . 22.2 t80 -74.86 -48.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 17' ' ' VAL . 85.6 mm-40 -54.15 -54.44 39.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.237 0.542 . . . . 0.0 111.435 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 31.7 mmmt -57.67 -34.21 69.14 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.263 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp -67.02 -45.56 77.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 11.6 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 28' ' ' THR . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' HD22 ' B' ' 124' ' ' LEU . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.63 -40.33 81.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.747 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.2 mm? -58.05 -41.31 83.03 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.032 174.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.6 mmt180 -51.07 -49.71 60.09 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.451 0.469 . . . . 0.0 110.633 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.513 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 13.1 mm-40 -65.46 -39.12 91.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.558 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -66.81 -36.48 82.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.675 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 58.7 mt -69.66 -27.82 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.001 175.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' ARG . 59.2 t -56.01 -46.34 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.546 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -66.7 -29.55 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.019 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.3 mtp180 -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.351 0.596 . . . . 0.0 110.654 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.55 14.49 68.04 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.196 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 27.7 t70 -90.59 1.68 56.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 109.794 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.69 -36.64 16.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.023 -0.99 . . . . 0.0 113.158 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.66 -33.0 12.5 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.87 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.31 -125.47 7.0 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -142.66 94.96 2.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.056 0.455 . . . . 0.0 110.102 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -114.52 87.99 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.672 ' H ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -93.44 0.83 56.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.117 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 C--O 1.237 0.426 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.551 178.856 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -88.69 -172.03 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.968 2.445 . . . . 0.0 113.02 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -50.79 140.54 14.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.302 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.35 -3.52 33.12 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.148 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.4 p -79.16 -11.02 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.684 -0.258 . . . . 0.0 111.423 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -73.11 -50.27 23.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.235 0.541 . . . . 0.0 109.835 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.475 ' HB3' ' HB ' ' B' ' 93' ' ' VAL . 91.9 mtt180 -109.78 69.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.597 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 85.5 t80 -54.9 -53.84 50.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.586 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.48 -41.4 90.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.965 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' B' ' 90' ' ' ARG . 31.2 t -68.71 -57.41 8.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 70.4 m-20 -64.13 -55.61 20.72 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.054 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 2.9 m-20 -59.06 -10.53 2.69 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -71.92 -63.03 1.22 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -84.07 -43.8 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.479 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 40.0 mm-40 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.851 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.688 ' O ' HG23 ' B' ' 103' ' ' VAL . 3.5 tm? -65.53 -54.03 33.91 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.436 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.55 -30.78 68.86 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.796 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.503 ' O ' HG12 ' B' ' 105' ' ' VAL . 78.6 t80 -69.36 -44.23 71.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.173 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.658 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.64 -22.06 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.489 -175.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.688 HG23 ' O ' ' B' ' 99' ' ' LEU . 4.2 t -70.05 -46.49 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.676 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.548 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.638 HG13 ' HE3' ' B' ' 112' ' ' LYS . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.638 ' HE3' HG13 ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 27' ' ' ILE . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.814 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.626 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 62.9 mt -68.1 -35.45 78.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -64.94 -40.1 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.261 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 15.2 ptt180 -65.86 -32.76 74.47 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.724 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.526 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 18.9 tp -60.9 -56.54 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 170.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.7 mt -51.79 -64.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.237 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.07 -35.94 81.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.837 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 37.1 t -79.54 -15.63 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.266 0.555 . . . . 0.0 110.854 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.8 73.7 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.08 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' B' ' 127' ' ' LEU . 40.2 tp -58.17 -40.52 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.411 0.285 . . . . 0.0 111.088 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.245 0.837 0 O-C-N 123.641 0.588 . . . . 0.0 111.143 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 20.7 t70 -106.68 155.43 19.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 111.18 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.54 -29.84 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.607 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.38 -47.84 4.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 9' ' ' ASP . 54.2 mt -67.09 110.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.291 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -87.98 -179.98 6.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.257 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 58.0 mttp -62.04 -15.17 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 23.2 mm-40 -54.01 -66.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.847 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 5' ' ' ILE . 14.5 t70 -79.9 -42.24 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.65 -61.91 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.925 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 57.8 mm-40 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -65.41 -41.88 93.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' O ' HG13 ' A' ' 17' ' ' VAL . 14.5 t80 -64.56 -44.9 89.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.076 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 17' ' ' VAL . 24.0 mm-40 -54.69 -53.93 48.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.44 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 18' ' ' THR . 32.2 mmmt -60.12 -32.44 71.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp -64.74 -46.5 81.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.787 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HD22 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.787 ' HG3' ' O ' ' A' ' 18' ' ' THR . 14.1 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 27' ' ' ILE . 20.4 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.559 HG23 HD11 ' B' ' 117' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HG3' HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.9 t -64.75 -29.81 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -62.72 -32.16 73.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.255 176.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.0 mtp180 -60.1 -40.96 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.778 0.323 . . . . 0.0 110.303 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.526 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 75.7 mm-40 -64.7 -33.2 75.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 110.437 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.34 -38.77 91.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 172.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -66.52 -33.86 76.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 53.5 t -55.06 -46.03 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.302 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.44 -32.33 73.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.581 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -75.84 -24.75 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 110.494 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 28.91 24.45 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.158 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.0 -21.59 63.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.929 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.82 10.1 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.303 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -73.5 -7.48 51.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.288 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.95 -37.46 64.79 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -153.3 89.08 1.33 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.113 0.482 . . . . 0.0 109.911 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -115.94 130.27 56.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 109.723 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.6 mt -106.01 -27.08 11.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.231 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.237 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -86.75 -172.08 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.853 2.369 . . . . 0.0 111.582 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.819 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.32 152.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.533 0.682 . . . . 0.0 112.038 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.9 14.29 65.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.475 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -63.53 -2.1 1.48 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 89' ' ' ARG . 5.5 ptp180 -64.35 -23.77 67.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -153.39 -33.86 0.11 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.254 0.549 . . . . 0.0 110.781 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 70.3 t80 -68.3 -10.63 56.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.036 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.64 -30.51 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 0.0 110.05 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.47 -44.92 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.627 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 4.6 m-20 -63.21 -50.24 71.04 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.415 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.7 t70 -51.3 -19.97 1.49 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.249 0.619 . . . . 0.0 112.079 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 42.8 ttp180 -72.46 -66.2 0.69 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' B' ' 97' ' ' ARG . 3.5 tmt_? -78.43 -50.4 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.383 0.611 . . . . 0.0 110.784 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 51.8 mm-40 -62.0 -47.92 82.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.334 -172.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.741 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.4 tm? -67.95 -47.77 67.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 12.3 pt20 -61.46 -34.23 75.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.23 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.523 ' O ' HG12 ' B' ' 105' ' ' VAL . 85.3 t80 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.785 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 9.8 ptm180 -75.91 -22.32 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.163 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 99' ' ' LEU . 24.2 t -70.23 -44.0 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.704 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.613 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.523 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 13.2 mm100 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.424 ' O ' HD11 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.98 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.98 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.5 mt -62.72 -52.21 64.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.9 mt-10 -56.28 -35.81 67.91 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.014 0.196 . . . . 0.0 111.097 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 22.4 mmm180 -54.55 -49.61 69.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.943 0.401 . . . . 0.0 110.391 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.59 -37.86 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.018 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 71.6 mt -53.08 -56.37 16.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.598 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.59 -31.51 72.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.471 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 27.4 t -66.78 -25.01 66.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.27 16.49 6.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.478 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 37.1 tp -69.72 -43.7 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 110.099 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.67 178.896 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.876 0.37 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.65 -31.55 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.459 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.12 -22.72 55.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -40.11 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 9' ' ' ASP . 42.4 mt -72.4 138.94 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.819 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -91.26 169.1 11.1 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 32.5 ttmt -60.46 -23.49 64.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -46.87 -67.1 0.31 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.116 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 5' ' ' ILE . 12.6 t70 -71.89 -26.03 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 31.3 tt0 -65.31 -59.67 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 45.0 mt-10 -60.19 -31.51 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.505 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -55.45 -52.75 62.59 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.023 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' O ' HG13 ' A' ' 17' ' ' VAL . 27.0 t80 -62.83 -53.39 55.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.766 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 17' ' ' VAL . 39.9 mt-30 -50.08 -58.39 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.916 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 63.8 mmtt -57.15 -33.13 67.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.78 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp -66.94 -43.19 83.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.619 ' O ' HD22 ' A' ' 23' ' ' LEU . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 p-10 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' THR . 68.7 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.33 -38.23 82.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.697 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.8 mm? -65.13 -39.74 93.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.047 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 ptt180 -63.56 -36.47 83.9 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.568 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 10.9 mm100 -64.19 -36.6 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.283 0.563 . . . . 0.0 110.312 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -66.94 -44.94 79.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.504 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt -60.06 -27.39 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.042 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' ARG . 55.7 t -57.2 -46.05 84.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.351 . . . . 0.0 110.494 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.05 -28.15 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -84.26 -32.08 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.857 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.4 2.82 53.76 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.3 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 9.0 t70 -74.0 -28.89 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.415 0.626 . . . . 0.0 110.403 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.32 13.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.979 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 7.5 tmtt? -61.72 -43.26 99.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.8 150.82 10.5 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.571 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.1 m -106.27 88.97 2.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 109.567 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -103.56 100.04 9.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.32 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.28 43.78 1.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.299 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.545 -177.725 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 112.317 -0.313 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.415 ' HB2' HD23 ' B' ' 86' ' ' LEU . 65.0 Cg_endo -85.17 -170.88 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.271 2.647 . . . . 0.0 111.784 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.3 pt? -45.58 101.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.664 0.745 . . . . 0.0 111.687 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.44 -70.01 0.58 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.645 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.1 m -91.38 -35.7 14.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 111.494 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.519 ' HB2' ' OD2' ' B' ' 94' ' ' ASP . 24.3 mmt180 -81.15 -71.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.49 -175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 90' ' ' ARG . 49.0 mtt180 62.7 -173.58 0.15 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.391 0.432 . . . . 0.0 111.015 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 56.91 -151.66 0.41 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.481 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.14 -27.69 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.74 -49.32 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.507 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.6 OUTLIER -78.84 -25.04 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 178.436 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 6.5 m-20 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.269 0.557 . . . . 0.0 109.902 172.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 29.6 ttm180 -92.5 -61.71 1.55 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.469 ' HD3' ' OD1' ' B' ' 94' ' ' ASP . 49.5 ttt180 -47.62 -51.43 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.43 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 47.3 mt-10 -74.65 -38.0 62.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 103' ' ' VAL . 0.6 OUTLIER -66.34 -53.52 35.22 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.309 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 21.2 pt20 -63.19 -30.02 71.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.703 ' O ' HG12 ' B' ' 105' ' ' VAL . 60.1 t80 -51.64 -46.17 63.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.303 175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.552 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 42.4 ptt85 -80.8 -21.81 40.6 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.481 -176.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 99' ' ' LEU . 9.5 t -72.58 -42.49 63.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.703 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t30 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.451 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.773 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.773 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.63 ' O ' HD13 ' B' ' 128' ' ' LEU . 78.4 mt -61.83 -50.1 73.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 53.3 mt-10 -55.83 -33.82 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.626 0.25 . . . . 0.0 111.457 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 65.2 mtp180 -63.68 -24.26 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' B' ' 132' ' ' LEU . 12.4 tp -87.0 -58.42 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.219 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.1 mp -46.91 -67.87 0.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.071 0.949 . . . . 0.0 113.031 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.85 -29.45 70.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.648 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -72.7 -10.66 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.142 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.85 18.01 64.34 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.961 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 127' ' ' LEU . 81.9 mt -79.41 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.41 ' HB ' HD21 ' B' ' 127' ' ' LEU . 15.1 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.35 173.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -55.5 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.503 0.502 . . . . 0.0 111.777 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -82.73 6.45 18.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.89 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.88 -16.11 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 111.414 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.42 131.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.169 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -110.19 -169.35 1.45 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.541 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.612 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 17.1 ttmt -62.56 -22.92 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.957 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -42.8 -51.93 5.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.149 0.579 . . . . 0.0 112.319 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -72.46 -41.18 66.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.774 0.321 . . . . 0.0 110.848 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.64 -60.21 4.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.083 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 6.3 pt-20 -62.0 -29.0 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.95 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.19 -46.68 79.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 t80 -59.88 -47.93 83.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.434 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 17' ' ' VAL . 32.3 mm-40 -51.53 -55.25 20.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.761 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.9 mmtt -64.74 -26.21 68.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.634 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp -66.83 -39.34 87.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.73 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.648 ' O ' HD22 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.735 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 p-10 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.73 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 29.7 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 11.7 mm100 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.508 HG23 ' HD3' ' B' ' 123' ' ' LYS . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.29 -38.97 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.7 mm? -60.32 -36.57 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.719 173.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 ttt180 -64.66 -41.1 96.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.805 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 79.8 mm-40 -61.84 -40.73 96.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.206 0.527 . . . . 0.0 110.56 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -66.34 -34.49 78.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.391 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 50.6 mt -67.4 -26.37 66.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.57 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.4 t -61.83 -47.06 95.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.777 0.323 . . . . 0.0 110.503 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.84 -27.93 65.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -70.46 -35.09 73.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.827 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.9 26.2 8.6 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.057 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.3 t70 -68.99 -30.7 69.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.279 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.55 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 110.865 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.93 -12.5 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.189 0.518 . . . . 0.0 109.925 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.13 97.36 0.87 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.9 m -143.21 121.43 12.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.88 111.41 20.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.168 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.559 HD22 ' H ' ' A' ' 52' ' ' LEU . 1.9 mm? -75.93 67.27 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.075 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 178.778 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.33 -170.58 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.855 2.37 . . . . 0.0 112.251 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.55 148.9 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.672 0.749 . . . . 0.0 112.713 176.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.47 9.93 71.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -73.84 -3.55 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.782 0.325 . . . . 0.0 111.26 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -100.11 6.42 44.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.466 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -77.05 139.17 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.279 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -47.47 -49.93 24.33 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.77 -30.51 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.975 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.19 -44.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 32.9 m-20 -68.74 -54.06 18.29 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.608 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.8 OUTLIER -55.94 -18.86 10.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.955 0.407 . . . . 0.0 112.06 -171.626 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -83.7 -46.92 11.75 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 122.024 -0.422 . . . . 0.0 110.361 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.544 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 4.9 tmm_? -88.32 -49.51 6.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.544 ' HG2' ' NH1' ' B' ' 97' ' ' ARG . 43.6 mm-40 -56.76 -47.52 79.9 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.461 0.704 . . . . 0.0 112.097 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 1.8 tm? -70.41 -47.22 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.79 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.28 -31.78 73.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.486 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.599 ' O ' HG12 ' B' ' 105' ' ' VAL . 76.6 t80 -61.19 -41.64 97.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.625 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 5.3 ptp180 -73.32 -22.9 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.801 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 99' ' ' LEU . 12.4 t -69.34 -45.07 79.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.489 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 65.9 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 128' ' ' LEU . 47.4 mt -65.4 -49.12 70.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 46.7 mt-10 -58.89 -28.16 65.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.618 0.247 . . . . 0.0 111.103 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -59.16 -44.86 92.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.202 0.525 . . . . 0.0 109.775 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' B' ' 132' ' ' LEU . 14.6 tp -63.47 -62.14 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.552 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.2 mp -45.1 -67.02 0.32 Allowed 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.84 0.856 . . . . 0.0 112.816 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.34 -34.22 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -82.2 -22.54 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.897 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.1 60.41 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.49 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.482 ' HB3' HD12 ' B' ' 127' ' ' LEU . 54.6 tp -62.94 -46.65 86.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.595 -0.303 . . . . 0.0 111.159 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.248 0.994 0 O-C-N 123.772 0.67 . . . . 0.0 111.447 179.79 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.023 0.439 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.74 33.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.093 0.473 . . . . 0.0 110.864 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -91.48 -50.26 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.82 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.89 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -86.9 137.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.767 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -107.32 173.52 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -56.21 -29.56 61.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -47.82 -54.33 12.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.829 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.1 -29.45 26.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.07 -175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.03 -55.6 24.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.19 -39.46 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.184 0.516 . . . . 0.0 110.51 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.37 -43.29 98.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.951 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.7 t80 -70.9 -50.09 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.243 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' VAL . 35.7 mt-30 -52.43 -54.26 34.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.135 0.493 . . . . 0.0 111.794 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' O ' ' HB ' ' A' ' 18' ' ' THR . 58.4 mmtt -64.96 -24.59 67.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp -68.6 -45.15 72.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.712 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.685 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.743 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 18.4 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 13.6 mm100 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.14 -38.0 81.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -63.84 -42.35 97.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.918 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 2.0 ptp180 -69.22 -34.55 75.02 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.387 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 15.2 mm100 -57.17 -42.49 81.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.88 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 20.7 mtp180 -63.21 -42.72 99.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.315 175.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.3 mt -71.5 -17.79 62.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 37.3 t -61.33 -36.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.581 0.705 . . . . 0.0 109.237 171.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.71 -15.04 59.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.933 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HE ' ' HB2' ' A' ' 46' ' ' ASP . 7.5 ptt180 -93.03 -32.53 14.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.698 0.761 . . . . 0.0 109.394 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.13 36.09 2.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.482 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB2' ' HE ' ' A' ' 44' ' ' ARG . 20.1 t70 -90.23 -31.36 17.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.0 110.778 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -12.3 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.282 0.563 . . . . 0.0 109.857 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.83 -26.74 68.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.832 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.27 -14.78 80.45 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.013 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -108.95 92.63 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 129.85 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.9 mt -119.82 1.17 10.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 0.0 111.227 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -82.58 -172.42 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.586 2.191 . . . . 0.0 112.615 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.52 145.92 2.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.901 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.22 65.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.365 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 10.3 p -79.14 -31.87 44.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.491 0.186 . . . . 0.0 111.481 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 77.5 mtp180 -78.81 -50.57 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.796 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 49.61 62.65 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.685 0.615 . . . . 0.0 110.976 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 61.51 -154.01 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.242 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.46 -1.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.004 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.25 -64.51 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.573 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 1.5 m-20 -72.42 -39.73 67.68 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.367 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 3.3 m-20 -54.87 -19.24 6.12 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -82.4 -65.48 1.01 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.416 ' HA ' ' OE1' ' B' ' 100' ' ' GLN . 5.0 tmm_? -69.71 -40.07 76.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.592 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 70.0 mm-40 -66.45 -45.99 77.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.713 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.2 tm? -61.88 -48.42 80.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.563 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' B' ' 97' ' ' ARG . 4.8 pt20 -67.23 -31.16 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.486 ' O ' HG12 ' B' ' 105' ' ' VAL . 88.8 t80 -67.42 -44.17 79.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.98 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.7 OUTLIER -64.39 -27.53 69.07 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.768 -176.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.713 HG23 ' O ' ' B' ' 99' ' ' LEU . 20.1 t -69.56 -43.43 80.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.198 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.559 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 27' ' ' ILE . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.543 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.7 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 77.9 mt -72.4 -46.84 53.38 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.661 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 59.1 mt-10 -56.46 -42.81 78.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.597 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.4 -35.42 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.869 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -75.69 -36.04 60.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.728 0.299 . . . . 0.0 110.35 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 81.0 mt -54.76 -57.9 9.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.348 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.9 -25.03 66.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.033 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 38.5 t -65.54 -12.96 57.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.31 25.64 3.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.971 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.94 -61.66 1.93 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.54 0.686 . . . . 0.0 109.256 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.545 177.864 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -114.32 142.62 46.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -93.13 -4.68 51.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.743 0.306 . . . . 0.0 111.381 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.74 3.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 110.047 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.99 100.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.923 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -88.06 178.14 6.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.063 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.42 -25.91 62.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 7.0 tp10 -52.28 -63.55 1.1 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.787 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.55 -38.25 89.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.799 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.33 -61.16 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.24 -33.67 63.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.662 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 6.1 mmp_? -62.47 -39.26 92.84 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 0.0 110.246 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . 36.9 t80 -74.59 -46.47 38.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.49 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.7 mm-40 -54.12 -55.46 27.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.713 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.6 mmmt -56.72 -30.47 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.203 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp -70.45 -47.13 62.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 19.3 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -66.71 -40.35 85.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.709 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.5 mm? -64.11 -33.92 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.435 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.4 mmm180 -59.33 -47.08 86.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.619 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 52.7 mm-40 -62.63 -33.6 75.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.239 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 40' ' ' ARG . 21.5 mtp180 -66.91 -42.17 85.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.852 175.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 8.4 mt -74.06 -15.97 61.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.309 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.619 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 40.4 t -61.73 -37.19 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 169.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.321 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -81.38 -36.22 29.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.297 0.57 . . . . 0.0 109.528 176.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.46 22.46 6.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.523 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.57 -30.65 64.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 111.009 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.18 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 46.7 tptt -75.57 -23.26 56.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 109.942 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.82 18.21 22.11 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -126.9 102.18 6.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.97 131.41 42.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.936 0.875 . . . . 0.0 112.343 -175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.01 17.79 2.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.583 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.952 -175.186 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.34 -171.88 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.886 2.39 . . . . 0.0 112.554 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.32 154.07 0.19 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.63 0.729 . . . . 0.0 112.839 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.07 11.59 28.4 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.378 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -102.83 18.46 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.61 7.23 12.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.076 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -130.08 -163.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 69.84 -165.75 0.17 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.523 0.515 . . . . 0.0 111.294 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.8 -40.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.612 -175.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.03 -29.58 43.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.483 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.718 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 16.2 t70 -77.04 -57.41 3.86 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.19 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 14.9 m-20 -60.0 -28.63 67.87 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.992 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -87.75 -70.37 0.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.939 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -76.57 -40.83 48.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.3 mm-40 -72.2 -34.97 68.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.9 tm? -62.91 -54.62 35.73 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.944 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 8.6 mm100 -50.3 -45.31 54.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.024 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.558 ' O ' HG12 ' B' ' 105' ' ' VAL . 62.8 t80 -64.33 -40.11 95.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.975 -176.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.633 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 12.8 ptt180 -77.61 -21.92 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.965 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 99' ' ' LEU . 8.1 t -68.25 -43.78 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.251 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.633 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.401 ' OD1' ' HB3' ' A' ' 19' ' ' GLU . 3.8 t30 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.432 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 23' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.567 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.676 ' O ' HD13 ' B' ' 128' ' ' LEU . 84.7 mt -70.07 -49.88 46.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -52.29 -41.88 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -65.3 -32.4 74.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.6 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -69.14 -54.04 17.0 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.2 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.676 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.0 mp -47.53 -66.98 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.195 0.998 . . . . 0.0 112.808 173.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.47 -22.78 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.572 -172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.414 ' HB3' HD23 ' B' ' 132' ' ' LEU . 22.7 t -75.48 -6.47 50.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.092 0.472 . . . . 0.0 110.53 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.97 18.35 40.42 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 127' ' ' LEU . 3.9 mm? -91.24 -22.9 20.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.098 176.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.027 177.788 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.0 34.28 0.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 0.0 111.071 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.0 -50.79 38.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.372 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.52 -46.11 10.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.02 0.438 . . . . 0.0 109.923 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.96 108.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.775 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -106.47 -169.99 1.65 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.255 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -59.33 -30.71 68.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.919 0.39 . . . . 0.0 110.282 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -51.36 -65.58 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.671 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.14 -37.37 79.88 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.19 -64.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.678 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.8 -34.18 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 3.7 tpm_? -65.14 -35.06 79.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.173 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.9 t80 -76.61 -46.97 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.572 ' O ' HG22 ' A' ' 17' ' ' VAL . 88.9 mm-40 -52.79 -56.05 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.713 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' HB ' ' A' ' 18' ' ' THR . 64.5 mmtt -59.07 -32.15 69.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.478 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp -64.61 -44.2 91.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.766 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.766 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 HD21 ' B' ' 117' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.672 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 32' ' ' GLU . 39.3 t -67.2 -42.36 87.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -60.35 -38.94 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.902 171.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.5 mtp180 -63.66 -39.1 93.49 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 26.7 mm-40 -57.2 -38.61 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.481 0.658 . . . . 0.0 110.304 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 28.2 mtp180 -64.35 -44.91 89.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.26 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 2.5 mt -71.13 -16.24 62.54 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 17.5 t -61.3 -30.92 48.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.772 0.796 . . . . 0.0 109.155 172.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.68 -27.36 61.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.288 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 2.4 ptp180 -80.86 -31.74 35.26 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.393 0.616 . . . . 0.0 109.386 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.7 33.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.987 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.55 -25.35 57.08 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 42' ' ' VAL . . . -83.29 13.57 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.408 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.72 -43.51 15.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.134 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 -72.4 2.74 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.642 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 t -156.01 89.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.355 0.597 . . . . 0.0 111.212 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 37.02 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.23 109.14 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.56 0.695 . . . . 0.0 110.466 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.5 t30 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.427 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.38 -172.76 1.54 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.398 2.065 . . . . 0.0 112.626 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.0 115.41 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.781 0.8 . . . . 0.0 112.414 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.86 -37.93 1.34 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.139 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -93.1 18.83 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.297 . . . . 0.0 111.585 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.469 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 69.2 mtp180 -94.56 -72.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.818 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 58.58 76.29 0.35 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.364 0.602 . . . . 0.0 111.355 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 62.47 -165.09 0.24 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.99 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.51 -24.18 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.848 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.92 -61.12 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 120.942 0.401 . . . . 0.0 110.799 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' B' ' 98' ' ' GLU . 2.3 m-20 -69.48 -48.39 60.85 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.823 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 24.0 t70 -60.68 -8.68 3.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.968 0.414 . . . . 0.0 111.722 -176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' B' ' 96' ' ' ARG . 13.0 tpt180 -76.74 -55.14 5.76 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.155 -0.966 . . . . 0.0 109.13 173.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -86.4 -48.67 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.425 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 94' ' ' ASP . 35.3 mm-40 -58.67 -40.56 83.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.935 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.823 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 0.4 OUTLIER -69.66 -52.66 23.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.705 -179.059 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.6 pt20 -59.87 -33.44 71.83 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.414 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.561 ' O ' HG12 ' B' ' 105' ' ' VAL . 83.3 t80 -70.7 -34.0 71.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.911 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.677 ' CZ ' HD23 ' B' ' 99' ' ' LEU . 11.1 ptt-85 -79.32 -25.18 42.39 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.86 -177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 99' ' ' LEU . 21.5 t -66.22 -43.99 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.73 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.597 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.689 HG13 ' HE3' ' B' ' 112' ' ' LYS . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.555 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.689 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.417 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.777 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.777 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.472 ' O ' HD13 ' B' ' 128' ' ' LEU . 76.7 mt -63.19 -47.05 84.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 49.1 mt-10 -50.88 -32.44 20.48 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.402 0.439 . . . . 0.0 111.446 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -60.34 -45.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.916 0.389 . . . . 0.0 110.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 37' ' ' LEU . 4.6 mm? -74.51 -40.81 61.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.731 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 124' ' ' LEU . 11.2 mp -48.5 -60.16 2.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 111.162 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.41 -34.56 70.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.453 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -66.5 -26.67 67.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.706 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 111.87 19.43 7.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.278 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.8 tp -84.43 -67.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.063 0.431 . . . . 0.0 110.787 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.471 -177.854 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.776 0.322 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.41 -32.83 66.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.886 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -83.96 -6.49 59.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 -12.1 53.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.656 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' ASP . 52.4 mt -79.13 103.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -86.03 -176.31 5.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 3.4 ttmp? -63.98 -25.44 68.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.367 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -50.26 -60.82 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.456 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' ILE . 35.1 t70 -74.21 -25.92 59.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.532 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 33.0 tt0 -63.97 -57.15 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.741 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 41.7 mt-10 -56.19 -33.47 65.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.93 0.395 . . . . 0.0 110.913 175.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 40.0 ttm180 -59.7 -49.93 75.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.984 175.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' O ' HG13 ' A' ' 17' ' ' VAL . 16.4 t80 -63.79 -46.71 83.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.219 178.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 17' ' ' VAL . 12.1 mt-30 -51.04 -56.83 10.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -57.65 -34.41 69.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.0 110.957 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp -64.23 -44.28 92.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.197 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.795 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HD22 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.795 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.2 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.461 HG22 ' HG3' ' A' ' 31' ' ' GLU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 32' ' ' GLU . 27.9 t -68.16 -34.23 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.8 mm? -71.26 -28.7 64.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.608 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.5 mtp180 -62.13 -38.8 90.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.7 mm-40 -63.36 -35.77 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.61 -43.61 97.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.118 172.541 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -69.51 -29.53 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 38' ' ' ARG . 58.7 t -57.95 -46.25 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.893 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 34.6 mt-10 -64.49 -43.73 93.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.311 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.52 -28.02 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.406 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.29 41.15 8.09 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.769 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.15 -15.15 62.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.268 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.43 61.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -117.16 -50.91 2.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.531 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.63 -90.36 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -158.86 97.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.4 106.18 4.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.874 0.369 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.96 -25.96 40.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.449 0.642 . . . . 0.0 110.291 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.868 176.484 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -84.49 -173.09 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.585 2.19 . . . . 0.0 112.753 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.438 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -46.57 103.76 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.249 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.17 -4.95 27.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.829 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.6 t -77.85 -14.24 59.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -96.93 -71.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.949 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 54.71 49.9 17.0 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.954 0.407 . . . . 0.0 111.673 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 66.45 175.85 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.955 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 96' ' ' ARG . 8.1 p -62.92 -37.32 78.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.441 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 4.6 p -54.01 -49.67 58.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.888 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 61.3 m-20 -88.56 -33.75 17.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.992 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.748 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.5 t70 -52.49 -30.29 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.878 -0.514 . . . . 0.0 110.995 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.622 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 4.7 mmp_? -78.18 -70.15 0.5 Allowed 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.255 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -52.03 13.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.105 0.479 . . . . 0.0 111.258 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.725 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 5.4 mm-40 -62.96 -47.81 81.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.452 -174.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.748 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 1.5 tm? -64.53 -53.35 49.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.3 pt20 -61.65 -38.25 87.04 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.068 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.543 ' O ' HG12 ' B' ' 105' ' ' VAL . 64.6 t80 -74.78 -26.13 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' B' ' 106' ' ' GLN . 24.3 ptt85 -78.63 -31.65 47.04 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.293 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 99' ' ' LEU . 38.3 t -62.1 -40.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.668 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.652 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.567 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 128' ' ' LEU . 86.9 mt -66.07 -66.01 0.6 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' B' ' 128' ' ' LEU . 37.0 mt-10 -52.09 -37.34 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -66.06 -29.47 69.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.277 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -90.16 -44.42 9.79 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 122.234 -0.291 . . . . 0.0 110.711 176.306 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.619 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.5 mp -45.46 -60.49 2.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.341 0.656 . . . . 0.0 112.429 171.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.81 -23.68 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 0.0 111.416 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 28.4 t -76.23 -1.91 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.637 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.24 28.89 5.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.264 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.467 ' HB2' HD22 ' B' ' 127' ' ' LEU . 50.0 tp -92.45 -50.29 5.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.238 0.519 . . . . 0.0 111.123 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.463 -175.431 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.59 69.18 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.113 0.482 . . . . 0.0 109.93 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -104.89 -24.16 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 -38.65 33.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.15 134.45 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.38 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -93.47 169.99 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.104 -0.639 . . . . 0.0 109.867 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -56.17 -28.1 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 15.3 mm-40 -46.01 -65.15 0.59 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.351 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 16.3 m-20 -75.16 -28.23 60.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.557 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.72 -58.1 9.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -56.34 -31.38 63.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.974 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 83.0 mtp180 -61.16 -50.52 72.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.393 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.602 ' O ' HG13 ' A' ' 17' ' ' VAL . 41.5 t80 -73.87 -52.18 13.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.364 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.2 mm-40 -55.11 -56.99 13.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.837 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.1 mmmt -58.74 -27.81 65.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp -72.22 -49.48 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.634 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.2 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.0 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG12 ' NH1' ' A' ' 40' ' ' ARG . 3.3 t -73.66 -27.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -75.1 -30.39 60.88 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.425 0.631 . . . . 0.0 110.016 173.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.9 ttt180 -66.59 -23.81 66.24 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.058 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 66.2 mm-40 -72.69 -37.7 67.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.428 171.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' NH1' HG12 ' A' ' 36' ' ' VAL . 6.6 mpt_? -64.02 -39.2 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.334 0.588 . . . . 0.0 109.606 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 26.9 mt -63.89 -25.58 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.336 177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 51.0 t -57.89 -46.31 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.682 0.277 . . . . 0.0 110.413 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.54 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.963 0.411 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -78.77 -32.83 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.98 33.52 0.84 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 113.677 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.32 -5.1 56.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.391 0.615 . . . . 0.0 110.184 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 42' ' ' VAL . . . -75.31 12.78 0.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.061 -176.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 26.4 mmtm -62.47 -30.67 71.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.59 0.233 . . . . 0.0 111.474 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.67 -34.32 88.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.177 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -148.85 88.96 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -82.13 98.87 8.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.273 0.559 . . . . 0.0 110.91 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 69.0 mt -103.31 12.19 35.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.85 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 52' ' ' LEU . 9.5 t30 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 123.391 0.676 . . . . 0.0 111.657 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -85.05 -171.3 0.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.797 2.331 . . . . 0.0 112.449 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -51.69 140.87 17.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.736 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLY . . . . . 0.575 ' H ' HG11 ' B' ' 93' ' ' VAL . . . -89.06 -72.33 1.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.178 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 18.6 m -111.78 -54.56 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.82 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 5.3 tpm_? -102.87 -73.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.749 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 72.5 ttt180 176.11 -80.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.498 0.499 . . . . 0.0 110.676 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -78.3 -41.83 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.549 -175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.18 -47.8 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.136 0.493 . . . . 0.0 111.033 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.575 HG11 ' H ' ' B' ' 87' ' ' GLY . 10.4 p -73.77 -19.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.702 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -71.92 -58.37 3.51 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.81 -179.156 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.38 -16.26 53.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.603 0.716 . . . . 0.0 109.951 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -75.64 -58.72 3.11 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.269 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.9 tmm_? -76.52 -51.4 11.78 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.059 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.5 mm-40 -58.69 -42.51 88.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.666 0.786 . . . . 0.0 112.745 -174.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 1.5 tm? -65.47 -55.79 15.99 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.31 -178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 11.9 pt20 -64.86 -26.38 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.292 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.664 ' O ' HG12 ' B' ' 105' ' ' VAL . 24.6 t80 -54.91 -47.0 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.105 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 6.1 ptp180 -68.9 -22.69 64.16 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.347 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 99' ' ' LEU . 3.8 t -77.02 -41.82 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.077 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.488 HD22 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.453 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 49.9 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.735 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.8 mt -64.12 -52.62 58.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.8 mt-10 -63.25 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' B' ' 123' ' ' LYS . 18.6 ptt180 -70.71 -18.22 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.651 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.5 -36.75 18.82 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 79.0 mt -55.14 -55.44 31.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.266 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.21 -10.25 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.497 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -93.38 1.53 56.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.24 4.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.739 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.572 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 1.0 OUTLIER -93.6 -48.2 6.46 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.838 176.33 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -143.19 -177.5 5.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 m -61.87 -48.84 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -51.01 6.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.0 mt -68.36 105.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.328 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -90.2 -169.6 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 10' ' ' GLU . 24.1 ttmm -64.4 -19.56 65.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.64 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -50.06 -64.59 0.76 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.391 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.49 -21.54 38.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.378 0.609 . . . . 0.0 110.071 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 32.8 tt0 -57.78 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -59.53 -28.78 67.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -64.9 -45.66 84.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 17' ' ' VAL . 18.6 t80 -62.15 -43.95 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 174.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 17' ' ' VAL . 86.1 mm-40 -53.98 -53.39 53.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.289 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB ' ' A' ' 18' ' ' THR . 14.1 mmmm -58.3 -33.46 69.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.501 175.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp -66.06 -47.11 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.789 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.622 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' HD11 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.1 t -70.7 -34.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -71.66 -27.51 63.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.784 176.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 42' ' ' VAL . 83.2 mtp180 -62.46 -36.05 81.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.541 174.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 73.0 mm-40 -62.84 -36.57 83.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -64.72 -39.92 94.47 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 173.152 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.1 mt -66.65 -34.03 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.896 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 38' ' ' ARG . 79.1 t -54.34 -44.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.436 0.636 . . . . 0.0 109.712 171.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 37.2 mt-10 -70.46 -12.46 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 13.7 mtm180 -104.18 -26.98 12.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.995 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.505 ' HA3' ' HG2' ' A' ' 51' ' ' GLU . . . 76.46 35.39 41.99 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -172.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 22.6 t70 -62.52 -28.99 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.847 0.459 . . . . 0.0 112.038 -169.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.3 -23.05 54.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.711 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -109.23 -50.45 3.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.13 -56.93 0.57 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -153.59 120.18 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' HG2' ' HA3' ' A' ' 45' ' ' GLY . 12.8 mm-40 -73.48 111.8 8.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.8 mt -98.12 -24.11 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.588 -179.747 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -89.26 -172.5 0.66 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.798 2.332 . . . . 0.0 111.82 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -51.28 151.39 2.91 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.192 0.52 . . . . 0.0 111.483 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.15 10.43 63.44 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.484 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -85.3 11.85 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.885 0.374 . . . . 0.0 110.983 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.72 -19.68 63.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.95 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' HB ' ' B' ' 93' ' ' VAL . 91.3 mtt180 -84.6 73.14 10.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.703 ' O ' ' HB3' ' B' ' 95' ' ' ASP . 76.7 m-85 -53.65 -51.97 61.46 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.201 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -80.59 -33.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.76 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' B' ' 90' ' ' ARG . 48.5 t -62.08 -64.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.492 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 22.3 m-20 -90.05 -41.87 11.45 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.148 -172.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 8.0 t70 -56.57 -24.58 48.25 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.328 -0.857 . . . . 0.0 111.277 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -82.37 -70.44 0.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.882 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 23.6 mtp180 -65.32 -50.42 65.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.938 0.875 . . . . 0.0 110.944 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.7 mm-40 -80.36 -39.78 27.84 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.132 -1.395 . . . . 0.0 113.075 -167.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.781 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.7 tm? -65.92 -48.47 71.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.608 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -62.41 -30.67 71.38 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.523 ' O ' HG12 ' B' ' 105' ' ' VAL . 77.9 t80 -66.32 -38.68 88.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.734 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.588 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 7.3 ptp180 -80.68 -22.16 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.313 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 99' ' ' LEU . 10.6 t -69.43 -43.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.406 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.639 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 14.6 mm100 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' B' ' 104' ' ' GLU . 5.7 t30 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.578 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 52.4 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.813 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.56 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.813 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.59 ' O ' HD13 ' B' ' 128' ' ' LEU . 80.7 mt -60.35 -52.37 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.2 mt-10 -54.52 -26.61 32.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.799 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -57.36 -53.51 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.79 -49.1 76.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.59 HD13 ' O ' ' B' ' 124' ' ' LEU . 10.0 mp -46.7 -64.21 0.82 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.058 0.543 . . . . 0.0 112.105 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.36 -36.0 74.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -67.7 -19.43 65.16 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -19.1 20.72 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.69 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -54.4 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.038 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.006 0.432 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -83.03 -13.31 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.146 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -69.39 -33.52 73.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.115 0.483 . . . . 0.0 110.558 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 -57.08 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.272 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 9' ' ' ASP . 54.2 mt -81.15 108.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -86.78 177.37 7.33 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 33.3 mtmt -63.38 -14.86 54.67 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 10.5 tp10 -56.57 -61.08 2.66 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.928 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' HB3' HG23 ' A' ' 5' ' ' ILE . 20.5 t0 -77.46 -44.56 28.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.01 -63.58 1.25 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.459 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 29.8 mm-40 -55.46 -32.82 63.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 5.2 mmp_? -68.28 -39.01 82.25 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' O ' HG13 ' A' ' 17' ' ' VAL . 17.2 t80 -76.61 -46.01 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.592 177.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.0 mm100 -54.08 -55.53 26.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.378 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 62.4 mmtt -60.12 -26.82 66.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.486 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp -69.51 -47.71 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.765 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.765 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t -66.9 -39.72 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.807 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -57.16 -42.01 80.29 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.322 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.7 mtp180 -57.55 -46.03 84.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.965 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 68.8 mm-40 -61.17 -40.46 93.97 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.65 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -64.91 -40.94 95.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.452 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 45.5 mt -65.47 -27.58 68.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.849 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' ARG . 74.1 t -57.12 -43.91 82.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.613 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.16 -24.9 63.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -89.14 -30.4 18.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.449 0.642 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.26 83.57 1.74 Allowed Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.111 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -18.94 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.848 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -16.46 63.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.607 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 11.4 mmpt? -71.49 -19.1 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.664 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.51 148.71 24.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.726 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 m -147.42 89.21 1.76 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -116.11 107.31 14.75 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.3 mt -115.33 51.4 0.93 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.834 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.242 178.695 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.91 -0.076 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.75 -171.53 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.041 2.494 . . . . 0.0 112.308 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.717 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.68 99.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.43 0.633 . . . . 0.0 112.215 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.8 -21.13 79.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.024 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -76.61 -6.71 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -80.55 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.939 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -134.47 7.42 3.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 64.7 152.02 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.212 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 t -64.7 -17.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.545 0.688 . . . . 0.0 110.041 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.54 -44.14 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.395 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.665 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 18.1 t70 -74.08 -46.1 45.16 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.929 -174.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.9 p30 -65.27 -27.53 68.71 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -89.92 -71.9 0.59 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.786 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.1 tmt_? -69.98 -40.74 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.935 -173.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.665 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.1 mm-40 -80.48 -35.46 34.76 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.771 -173.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 3.1 tm? -71.94 -45.99 59.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.588 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 17.6 pt20 -62.96 -28.84 70.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.609 ' O ' HG12 ' B' ' 105' ' ' VAL . 59.9 t80 -53.88 -40.89 66.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.312 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 18.2 ptp180 -82.89 -22.66 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.11 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 99' ' ' LEU . 15.9 t -73.21 -43.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 100' ' ' GLN . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.536 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' B' ' 109' ' ' VAL . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' B' ' 125' ' ' GLU . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 128' ' ' LEU . 83.4 mt -60.44 -49.17 78.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.3 mt-10 -55.24 -32.76 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.189 0.306 . . . . 0.0 111.64 -176.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -69.18 -26.31 64.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.048 0.451 . . . . 0.0 111.04 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -40.99 22.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.827 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 124' ' ' LEU . 10.1 mp -48.98 -59.31 3.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 166.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 125' ' ' GLU . 44.8 mt-10 -57.33 -34.86 69.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.03 13.97 55.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.728 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.72 -50.2 5.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.164 0.507 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.505 ' OXT' ' HA ' ' B' ' 128' ' ' LEU . 25.9 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.247 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.71 0.29 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 2.5 p30 -139.1 121.91 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 110.492 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -111.64 -46.53 3.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.717 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.0 -40.0 14.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 109.885 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' ASP . 57.2 mt -80.72 147.02 6.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.207 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -103.5 176.04 5.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 3.6 ttmp? -64.07 -23.38 67.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.24 -49.99 16.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.138 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 17.7 t70 -66.94 -41.59 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.185 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.84 -56.15 11.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.095 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 10.7 mm-40 -56.37 -29.57 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.607 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 16.7 tpt180 -54.9 -54.93 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.51 174.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 23.3 t80 -78.54 -51.02 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.462 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' VAL . 28.5 mm-40 -55.32 -56.01 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 111.65 -174.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.0 mmmt -63.66 -25.49 68.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp -66.77 -45.69 77.7 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD22 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.786 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 48.3 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.786 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t -72.87 -42.42 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.0 mm? -60.39 -31.81 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.652 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . 25.4 ttt180 -68.42 -36.79 79.58 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.786 -176.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.662 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -79.61 -26.96 41.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.588 0.708 . . . . 0.0 109.238 176.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 33.4 mtp85 -66.55 -42.32 87.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.354 174.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 56.3 mt -59.03 -31.23 68.65 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.212 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 69.4 t -54.46 -47.08 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.76 -21.89 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.086 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -90.11 -28.47 18.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.83 46.22 14.63 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 12.1 t70 -69.99 -20.78 63.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -4.52 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.644 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 71.3 mmtt -66.35 -18.04 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.203 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.44 98.65 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.692 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -152.93 89.27 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 110.084 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.9 137.05 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -122.97 -138.35 0.31 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -175.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 120.992 0.425 . . . . 0.0 110.604 -175.784 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -86.55 -171.95 0.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.966 2.444 . . . . 0.0 112.56 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.858 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.07 115.15 1.0 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.703 0.763 . . . . 0.0 112.448 178.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.42 -73.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.997 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -114.35 -40.58 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 111.634 176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -76.66 -30.85 56.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 0.0 111.236 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' B' ' 94' ' ' ASP . 77.4 mtt-85 52.06 30.09 7.1 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.894 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 t80 44.04 -102.36 0.05 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 124.202 0.939 . . . . 0.0 112.154 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 9.9 p -91.1 -21.27 6.57 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.126 -172.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.22 -53.67 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.0 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' B' ' 90' ' ' ARG . 1.1 t70 -71.4 -52.62 17.63 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.848 -178.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 11.4 t70 -63.42 -12.11 28.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.148 0.499 . . . . 0.0 111.22 -173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 92' ' ' VAL . 74.4 ttt180 -82.3 -61.1 1.99 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 3.3 tmt_? -69.03 -53.09 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.55 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.484 ' HG3' ' OD1' ' B' ' 94' ' ' ASP . 76.2 mm-40 -64.03 -48.9 74.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.687 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.68 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.1 tm? -69.19 -46.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 26.8 pt20 -63.26 -31.95 73.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.337 0.589 . . . . 0.0 109.911 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.631 ' O ' HG12 ' B' ' 105' ' ' VAL . 25.5 t80 -63.61 -37.05 85.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 8.9 ptm180 -78.74 -21.51 47.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.053 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 99' ' ' LEU . 8.8 t -75.17 -41.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.697 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt -63.78 -51.9 62.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.2 mt-10 -55.5 -29.6 59.12 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 0.0 111.394 -177.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' B' ' 126' ' ' ARG . 2.7 mmp_? -55.89 -47.67 77.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.001 0.429 . . . . 0.0 110.028 173.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -70.38 -44.86 67.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.485 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.7 mp -47.48 -57.46 5.34 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 120.645 0.26 . . . . 0.0 111.403 172.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.14 -26.68 64.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.743 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 t -78.94 -14.44 59.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.53 25.57 4.57 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.492 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 29.8 tp -74.42 -44.64 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.098 0.449 . . . . 0.0 111.573 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.519 -176.481 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.578 0.227 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -103.56 50.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 111.744 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -89.17 -50.76 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.57 -39.19 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.559 0.695 . . . . 0.0 109.205 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.73 142.1 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.931 172.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -96.53 168.36 10.59 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 4.8 ttmp? -58.7 -24.33 61.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 14.4 tp10 -49.1 -56.94 7.55 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.61 176.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.88 -37.0 86.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.686 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.32 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 29.6 mm-40 -53.36 -36.14 61.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.209 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 29.4 mmt180 -61.98 -36.9 82.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.472 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' O ' HG13 ' A' ' 17' ' ' VAL . 24.9 t80 -78.97 -48.86 13.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.5 mm100 -53.72 -55.9 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 60.6 mmtt -57.37 -31.82 66.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp -67.92 -48.04 67.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.657 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.808 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.808 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 41.1 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' HD22 ' B' ' 124' ' ' LEU . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -71.61 -41.37 71.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.801 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.5 mm? -54.22 -42.61 70.01 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.269 175.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.9 mtp180 -52.49 -53.48 45.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.65 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.64 -41.55 86.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.68 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.3 mt -66.21 -34.28 77.67 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.88 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -51.36 -49.06 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.644 0.259 . . . . 0.0 111.69 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.04 -36.09 81.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.978 0.418 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 44' ' ' ARG . 66.0 mtt-85 -70.93 -40.87 71.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.05 78.55 0.58 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -170.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.81 -26.95 66.19 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -171.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.86 70.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.87 0.367 . . . . 0.0 111.347 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 41.1 tptt -104.94 2.59 29.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.129 0.49 . . . . 0.0 110.213 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.77 111.31 2.65 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.961 -176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 m -112.96 89.2 3.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 109.835 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.68 133.31 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.743 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.3 mt -125.43 -10.0 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.269 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.12 -172.24 1.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.988 2.459 . . . . 0.0 112.724 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.4 OUTLIER -40.06 138.13 0.88 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.986 0.804 . . . . 0.0 112.974 178.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.74 -70.09 1.02 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.902 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -110.12 -53.6 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.359 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 3.4 tpm_? -103.92 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.829 172.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.534 ' O ' HG22 ' B' ' 93' ' ' VAL . 79.1 ttt180 174.98 -59.47 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -58.13 -32.23 67.94 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -167.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.61 -41.92 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 111.676 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 90' ' ' ARG . 18.5 m -80.25 -21.72 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.365 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 6.5 m-20 -68.22 -57.71 5.58 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.254 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.4 p30 -64.84 -10.7 30.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.025 0.441 . . . . 0.0 110.548 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -81.65 -68.06 0.73 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 3.3 tmm_? -66.68 -33.98 76.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.798 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 8.1 mm-40 -75.81 -44.45 41.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.865 0.364 . . . . 0.0 111.677 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' B' ' 102' ' ' ARG . 2.4 tm? -72.65 -43.07 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.533 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 11.5 pt20 -63.75 -30.07 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.681 ' O ' HG12 ' B' ' 105' ' ' VAL . 63.7 t80 -59.3 -44.36 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.95 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.67 -21.64 63.51 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.502 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 99' ' ' LEU . 9.6 t -76.05 -44.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.596 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.681 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.546 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.787 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.493 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.787 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.667 ' O ' HD13 ' B' ' 128' ' ' LEU . 89.6 mt -68.11 -50.11 56.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 54.8 mt-10 -60.23 -33.61 72.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.675 ' O ' ' HB3' ' B' ' 130' ' ' SER . 10.0 ptm180 -70.5 -18.41 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.162 0.506 . . . . 0.0 110.164 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' B' ' 132' ' ' LEU . 0.1 OUTLIER -82.1 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 124' ' ' LEU . 7.4 mp -44.07 -65.51 0.5 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.06 0.944 . . . . 0.0 112.769 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.76 -36.65 21.6 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 33.2 t -95.01 -10.01 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.247 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.98 28.72 73.9 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.654 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.49 ' HB3' HD22 ' B' ' 127' ' ' LEU . 30.1 tp -50.18 -44.51 52.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.008 0.523 . . . . 0.0 111.552 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.139 179.287 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.612 0.244 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.71 -68.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -80.52 -4.91 55.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.062 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.81 -21.29 55.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.661 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -81.17 108.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.263 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -89.93 -169.84 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.215 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -72.29 -13.46 61.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.28 -55.69 30.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.983 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -39.13 93.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.469 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 35.2 tt0 -59.54 -62.87 1.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.429 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.99 -27.39 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.764 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.66 -43.96 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.98 0.419 . . . . 0.0 110.082 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' O ' HG13 ' A' ' 17' ' ' VAL . 38.2 t80 -78.09 -47.09 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.583 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 17' ' ' VAL . 86.4 mm-40 -52.36 -55.59 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.597 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.5 mmtp -57.42 -34.32 68.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.621 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp -67.9 -45.68 73.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.76 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 13.0 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.92 -40.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.744 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -62.32 -41.47 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 175.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.3 ttt180 -63.45 -39.36 94.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.274 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.469 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 71.7 mm-40 -56.73 -44.25 81.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 111.278 172.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 80.7 mtp180 -59.03 -45.79 89.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.922 175.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 15.1 mt -62.41 -28.86 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.981 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' ARG . 80.5 t -59.79 -50.05 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 110.49 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.33 -29.49 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 98.9 mtt180 -73.63 -20.45 60.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 110.507 174.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 32.7 20.08 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.121 -0.945 . . . . 0.0 113.018 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 30.6 t70 -64.78 -30.16 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.808 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.64 68.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 72.5 mmtt -91.95 -6.78 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.645 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.1 -15.31 81.49 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.0 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -121.17 107.75 12.96 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.8 -165.94 0.41 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.93 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 76.22 2.36 3.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.517 0.727 . . . . 0.0 111.274 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.167 0.987 . . . . 0.0 112.288 -177.369 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 CA-C-O 120.298 -0.168 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.65 -172.58 1.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.806 2.337 . . . . 0.0 113.259 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.402 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.9 pt? -41.5 112.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.691 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.99 -55.92 0.53 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.515 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 m -87.88 -31.88 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.569 0.223 . . . . 0.0 110.74 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 10.0 mpt_? -59.61 -69.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 58.04 51.23 9.04 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.992 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 64.5 -168.24 0.21 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.91 -15.82 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 0.0 110.315 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.06 -65.42 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.0 OUTLIER -76.11 -42.55 46.72 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.381 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.9 m-20 -50.39 -24.41 3.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.677 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -79.28 -68.77 0.63 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.53 -46.58 53.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.296 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.8 mm-40 -66.55 -37.97 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.114 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 2.7 tm? -74.11 -50.03 21.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.36 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -62.59 -31.95 72.87 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.328 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.588 ' O ' HG12 ' B' ' 105' ' ' VAL . 90.7 t80 -53.91 -50.52 66.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.06 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.543 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 28.5 ptt180 -65.37 -24.79 67.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 0.0 110.747 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 99' ' ' LEU . 4.1 t -72.88 -42.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.483 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.588 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.52 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 60.6 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.6 mt -67.19 -37.9 84.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 91.0 mt-10 -63.78 -31.47 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.26 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 83.2 mtp180 -65.09 -31.79 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.211 0.529 . . . . 0.0 109.924 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 8.5 tp -70.9 -48.19 55.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.689 174.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 62.8 mt -60.19 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.829 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.23 -35.13 79.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.244 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -75.21 -8.57 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.403 . . . . 0.0 110.774 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.86 29.09 63.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.144 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' B' ' 127' ' ' LEU . 0.5 OUTLIER -79.88 -34.77 38.89 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.022 176.499 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.793 0.33 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -117.11 145.24 43.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -92.37 -44.12 8.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.374 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.21 -48.25 36.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 9' ' ' ASP . 35.9 mt -84.11 98.33 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -94.67 -177.17 4.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -57.87 -27.34 63.17 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 109.639 175.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.11 -51.33 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.547 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 9.1 t70 -76.01 -29.19 58.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.413 0.625 . . . . 0.0 109.823 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.64 -61.64 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.644 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.03 -30.5 59.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.443 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 60.2 ttp85 -55.48 -46.69 76.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.818 0.342 . . . . 0.0 110.446 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 t80 -70.52 -47.91 58.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.602 ' O ' HG22 ' A' ' 17' ' ' VAL . 85.1 mm-40 -54.7 -56.64 17.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.658 -178.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.8 mmmt -57.41 -30.16 64.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.247 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp -67.17 -43.13 83.0 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 1.5 p-10 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 18' ' ' THR . 90.4 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 12.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 117' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 9.8 mm-40 -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.46 -38.49 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.811 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.1 mm? -59.23 -42.23 90.56 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.488 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 34.7 ttt180 -63.29 -42.24 99.06 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.875 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.8 mm-40 -61.56 -45.62 93.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.861 172.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -57.38 -40.04 77.32 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.044 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.811 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.9 mt -72.99 -21.89 60.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.961 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 75.2 t -59.22 -42.38 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.16 0.505 . . . . 0.0 109.852 174.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.51 -4.95 59.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.55 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -30.27 22.91 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 170.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.73 4.96 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.562 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.98 0.02 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.783 0.801 . . . . 0.0 109.792 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.02 12.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.66 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 71.2 mmtt -67.28 -24.06 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.044 0.45 . . . . 0.0 110.272 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.46 -94.3 0.33 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.0 m -146.3 89.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.354 0.597 . . . . 0.0 110.789 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -143.35 89.69 2.11 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 mt -91.0 -80.85 0.33 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.488 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.091 -178.174 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.812 -0.115 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.455 ' O ' ' HZ ' ' B' ' 91' ' ' PHE . 82.5 Cg_endo -83.32 -169.94 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.542 2.828 . . . . 0.0 112.24 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.819 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.8 131.43 14.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 111.774 175.534 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.94 2.23 88.39 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.609 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -66.07 -10.43 40.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 89' ' ' ARG . 16.4 mtm180 -82.28 -18.53 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 68.83 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.905 0.753 . . . . 0.0 110.208 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.548 ' HA ' ' OD1' ' B' ' 94' ' ' ASP . 57.9 m-85 -61.74 -25.66 67.58 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.354 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.01 -31.63 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.24 -51.53 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.72 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 3.8 p30 -75.54 -26.3 57.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.568 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.773 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.3 OUTLIER -72.6 -24.0 61.02 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.843 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 96' ' ' ARG . 42.8 ttp180 -86.28 -71.33 0.55 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.18 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -76.56 -40.82 48.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.72 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 31.8 mt-10 -77.67 -34.15 53.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.992 -173.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.773 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.8 tm? -76.24 -45.83 31.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.987 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.08 -32.7 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.067 0.461 . . . . 0.0 110.298 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.626 ' O ' HG12 ' B' ' 105' ' ' VAL . 54.6 t80 -59.81 -43.77 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.962 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 1.3 ptm180 -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.373 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 99' ' ' LEU . 11.4 t -73.2 -44.46 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.837 -177.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.588 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.443 ' O ' HD11 ' A' ' 23' ' ' LEU . 23.6 t30 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.405 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.804 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.804 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 85.1 mt -63.14 -57.64 9.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.1 mt-10 -61.22 -36.79 80.88 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.683 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.51 -30.68 29.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.698 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 61.4 mt -58.47 -57.52 12.58 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.27 0.557 . . . . 0.0 110.138 174.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.92 -40.39 84.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 35.0 t -67.87 -39.98 83.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.89 28.1 3.52 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.204 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 132' ' ' LEU . 3.9 mm? -88.92 -25.15 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.515 ' HB ' HD23 ' B' ' 128' ' ' LEU . 7.3 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.705 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.704 0.287 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 63.11 97.14 0.04 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.639 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -104.4 12.3 33.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.27 -58.77 1.89 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.024 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mt -85.34 128.12 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.001 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -99.35 -174.68 2.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.69 -25.85 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.651 -0.42 . . . . 0.0 109.99 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -48.7 -68.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.319 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.09 -22.05 56.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.59 -61.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.17 -34.42 66.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.636 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -57.66 -50.91 71.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.422 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.1 t80 -63.59 -46.37 86.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.793 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.606 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.2 mm-40 -54.5 -53.55 52.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.581 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 18' ' ' THR . 64.0 mmtt -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.803 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp -70.29 -45.53 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' ILE . 12.7 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.501 HG23 ' HD3' ' B' ' 123' ' ' LYS . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.7 t -67.84 -36.76 76.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -65.77 -35.91 82.05 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.928 174.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mtt180 -59.88 -35.07 74.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.935 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 12.1 mm100 -65.71 -40.68 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.029 174.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -57.59 -41.67 81.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.278 0.561 . . . . 0.0 109.572 172.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.5 mt -69.63 -23.17 63.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.613 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -65.26 -46.4 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 109.874 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.519 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.69 -40.21 96.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.155 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 48' ' ' LYS . . . 107.96 -6.78 35.18 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.955 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.42 -26.69 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.411 -0.394 . . . . 0.0 111.433 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.16 -0.23 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.222 0.534 . . . . 0.0 110.408 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 45.2 tptt -98.18 2.23 48.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.488 0.661 . . . . 0.0 109.98 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.62 -24.97 68.74 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.563 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -129.62 117.71 20.82 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.831 0.824 . . . . 0.0 109.911 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.49 93.86 8.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.033 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.1 mt -92.5 -13.09 30.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.843 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.245 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 113.3 0.08 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.73 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.305 2.67 . . . . 0.0 112.991 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 88' ' ' SER . 0.4 OUTLIER -44.26 154.64 0.11 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.696 0.76 . . . . 0.0 112.902 177.256 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 16.51 5.77 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.712 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.524 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 43.2 m -65.59 1.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -72.25 -24.95 61.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 93' ' ' VAL . 56.6 mtp180 -109.83 87.19 2.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.418 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 88.4 m-85 -58.21 -18.35 25.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.715 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.54 -37.12 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.775 0.322 . . . . 0.0 111.094 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 90' ' ' ARG . 9.1 p -78.82 -25.41 13.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.374 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 44.3 m-20 -59.73 -69.12 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -57.32 -21.23 33.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 38.7 ttm180 -80.84 -68.53 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.209 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -71.61 -45.6 61.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 34.3 mm-40 -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -172.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.5 tm? -62.36 -55.5 27.38 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.112 -177.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 24.7 pt20 -64.42 -28.5 69.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.663 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.532 ' O ' HG12 ' B' ' 105' ' ' VAL . 60.4 t80 -67.9 -44.12 77.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 177.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 3.9 ptp180 -63.4 -26.75 68.89 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.295 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 99' ' ' LEU . 5.3 t -70.1 -42.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.624 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.446 ' O ' HD11 ' A' ' 23' ' ' LEU . 5.3 t30 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.471 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.799 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.799 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.4 mt -66.37 -49.04 68.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.7 mt-10 -68.16 -32.68 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 13.1 ptm180 -64.18 -31.47 72.68 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.44 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' B' ' 132' ' ' LEU . 44.6 tp -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.831 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.1 mt -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.101 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' B' ' 130' ' ' SER . 3.8 pt-20 -72.66 -39.25 67.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.23 -170.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' B' ' 129' ' ' GLU . 11.0 t -81.96 -21.93 36.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.843 0.354 . . . . 0.0 111.642 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.15 56.61 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.886 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' B' ' 127' ' ' LEU . 29.8 tp -54.74 -69.55 0.13 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.458 ' H ' ' CD1' ' B' ' 127' ' ' LEU . 5.0 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.848 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 63.82 76.7 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.742 0.651 . . . . 0.0 111.319 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.73 41.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.218 0.532 . . . . 0.0 110.647 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 9' ' ' ASP . 44.3 mt -84.01 124.78 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -96.01 -177.93 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HG2' ' CG ' ' A' ' 11' ' ' GLU . 24.4 tttp -62.36 -27.95 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -49.84 -65.63 0.53 Allowed 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.324 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 23.8 t0 -65.78 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.69 -62.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.598 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 27.1 mm-40 -56.95 -36.21 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.911 -177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -65.52 -36.86 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' O ' HG13 ' A' ' 17' ' ' VAL . 20.3 t80 -69.18 -45.84 68.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.138 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.664 ' O ' HG22 ' A' ' 17' ' ' VAL . 29.7 mm-40 -53.16 -56.06 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.385 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.2 mmmt -57.62 -34.48 69.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.43 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' B' ' 104' ' ' GLU . 15.9 tp -66.97 -44.24 81.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.72 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.72 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 27' ' ' ILE . 18.1 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 23' ' ' LEU . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 117' ' ' LEU . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.538 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t -69.85 -35.73 66.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -68.16 -27.12 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.362 174.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 40.9 mmt180 -57.0 -45.93 82.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 31.2 mm-40 -57.73 -41.77 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.039 176.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' B' ' 133' ' ' THR . 0.0 OUTLIER -58.79 -39.02 79.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 174.837 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.1 mt -81.73 -16.64 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.691 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -62.53 -40.37 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 169.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.82 -17.4 59.86 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.627 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 1.3 ptm180 -89.02 -33.25 17.23 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.481 0.658 . . . . 0.0 109.235 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.92 21.26 7.54 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.688 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.15 -30.59 43.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.38 0.61 . . . . 0.0 110.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.65 -2.94 18.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.461 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.42 -25.81 54.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.063 0.459 . . . . 0.0 110.2 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.76 118.93 6.27 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.8 m -115.4 98.07 6.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.91 134.55 43.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.992 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.31 66.78 9.88 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.337 0.589 . . . . 0.0 110.736 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.594 178.774 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.34 -170.37 0.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.915 2.41 . . . . 0.0 110.931 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 89' ' ' ARG . 0.2 OUTLIER -42.81 110.37 0.18 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.596 0.712 . . . . 0.0 111.983 175.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.78 -0.82 85.97 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.109 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' B' ' 86' ' ' LEU . 39.4 ttm180 -101.17 -43.73 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 49.63 55.55 9.21 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.424 0.452 . . . . 0.0 110.306 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' PHE . . . . . 0.673 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 47.2 p90 -66.59 -12.3 57.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 95.5 t -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.846 -0.534 . . . . 0.0 110.014 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.68 -51.15 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.72 -54.69 23.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ASP . . . . . 0.673 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 12.7 m-20 -64.77 -3.83 3.71 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 17.3 tpp180 -77.06 -65.96 0.88 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -75.27 -43.74 49.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.393 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.11 -38.25 78.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.453 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.737 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.7 tm? -62.04 -56.84 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -62.56 -29.43 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.534 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.438 ' O ' HG12 ' B' ' 105' ' ' VAL . 73.5 t80 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 175.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.567 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 16.8 ptt180 -68.79 -21.07 64.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.937 -175.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 99' ' ' LEU . 27.1 t -68.38 -46.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.335 -0.146 . . . . 0.0 111.075 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.545 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.59 HD11 HG23 ' A' ' 27' ' ' ILE . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.857 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.677 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' B' ' 125' ' ' GLU . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.857 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.582 ' O ' HD13 ' B' ' 128' ' ' LEU . 67.8 mt -60.16 -44.53 94.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.677 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 51.4 mt-10 -55.69 -32.43 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.782 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 5.3 ptp180 -70.77 -24.51 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.235 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.93 -57.59 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.582 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.3 mp -45.0 -66.69 0.36 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -84.98 -37.2 20.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.672 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 27.4 t -91.48 -26.09 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.309 -173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.13 30.08 15.44 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.868 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.0 tp -47.95 -46.0 31.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 112.065 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 25.6 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.011 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 56.84 48.86 15.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -96.15 8.03 44.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.918 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.86 91.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.285 0.564 . . . . 0.0 109.571 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.3 mt -90.81 99.23 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.69 171.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -103.18 -172.92 2.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -56.79 -31.06 64.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.08 -46.72 75.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.757 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.55 -41.52 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 29.0 tt0 -63.59 -55.37 24.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.09 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.84 -42.98 59.01 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.395 0.434 . . . . 0.0 110.763 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -62.13 -46.28 89.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.423 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.0 t80 -64.65 -51.57 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.076 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 17' ' ' VAL . 32.8 mt-30 -53.77 -52.36 60.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.772 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.559 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 14.1 mmmm -61.91 -31.55 71.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.418 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp -62.74 -51.72 66.04 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.697 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HD22 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.6 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' GLN . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.3 mm-40 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.87 -44.21 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.1 mm? -63.24 -34.76 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.569 176.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 42' ' ' VAL . 23.8 ttt180 -68.92 -34.52 75.52 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.363 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 73.9 mm-40 -59.01 -39.87 83.18 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HD3' ' OXT' ' B' ' 133' ' ' THR . 0.0 OUTLIER -59.44 -43.88 93.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 9.8 mt -70.48 -23.21 62.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.66 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -60.47 -49.04 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.702 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.11 -27.44 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -79.14 -27.61 42.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.802 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 -0.36 76.18 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.493 -175.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.32 -0.01 47.8 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.689 0.395 . . . . 0.0 110.998 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.43 -23.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.28 0.562 . . . . 0.0 110.047 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -96.76 -51.18 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.539 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.51 48.61 80.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.563 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.0 m -143.56 109.36 5.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.891 0.377 . . . . 0.0 110.395 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.67 120.54 9.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.092 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.5 pt? -145.08 100.67 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.221 0.534 . . . . 0.0 110.208 -178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.689 179.66 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.97 -171.51 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.814 2.343 . . . . 0.0 111.845 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.465 0.65 . . . . 0.0 111.8 175.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 12.42 31.65 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.915 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -97.47 13.61 29.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.303 0.573 . . . . 0.0 110.213 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -69.1 -67.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' B' ' 94' ' ' ASP . 37.3 mmt180 51.41 -104.13 0.16 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.32 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 7.7 t80 69.32 175.97 0.28 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.336 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 -36.72 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.06 -48.41 81.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.891 0.377 . . . . 0.0 111.587 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.4 t0 -74.94 -46.83 32.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -65.35 -7.12 12.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.041 0.448 . . . . 0.0 111.585 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 2.7 tpm_? -72.46 -65.51 0.77 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -72.4 -53.17 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.585 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 4.7 mm-40 -59.98 -44.92 94.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.704 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 3.0 tm? -62.81 -55.66 24.36 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.367 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 26.3 pt20 -65.3 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.432 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.706 ' O ' HG12 ' B' ' 105' ' ' VAL . 63.7 t80 -64.14 -39.56 94.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 12.9 ptm180 -73.65 -21.62 60.22 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.59 0.233 . . . . 0.0 110.56 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 99' ' ' LEU . 5.4 t -75.99 -49.22 26.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.629 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.706 HG12 ' O ' ' B' ' 101' ' ' TYR . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.818 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.818 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 128' ' ' LEU . 64.0 mt -63.59 -43.16 97.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.6 mt-10 -62.5 -21.18 65.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' B' ' 130' ' ' SER . 16.1 mmm180 -70.02 -26.32 63.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.201 0.524 . . . . 0.0 109.869 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.57 -63.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.918 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.9 mp -41.52 -61.16 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.933 0.771 . . . . 0.0 112.549 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -43.53 11.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 22.7 t -96.35 -7.93 33.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -168.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.71 30.28 74.52 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.459 175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.15 -45.86 53.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.581 0.352 . . . . 0.0 111.291 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' THR . . . . . 0.464 ' OXT' ' HD3' ' A' ' 40' ' ' ARG . 22.0 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.984 -0.531 . . . . 0.0 111.013 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.361 0.124 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 67.52 -78.13 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.583 0.753 . . . . 0.0 111.947 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 m -81.12 4.49 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 111.738 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.95 -15.18 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.56 0.695 . . . . 0.0 109.859 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mt -90.36 115.08 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.513 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -87.33 -176.51 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 40.3 tttp -67.49 -15.46 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 35.8 mm-40 -51.24 -61.94 1.92 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.653 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.29 -40.83 82.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.541 0.525 . . . . 0.0 111.23 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.55 -63.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.197 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 34.8 mm-40 -63.5 -19.29 64.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.604 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 27.6 ttm180 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' O ' HG13 ' A' ' 17' ' ' VAL . 16.0 t80 -80.67 -51.27 8.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 177.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 17' ' ' VAL . 88.3 mm-40 -53.02 -59.0 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.896 0.379 . . . . 0.0 111.862 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.4 mmtp -61.25 -28.95 69.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.368 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 20.4 tp -63.49 -43.64 96.68 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.719 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.636 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.438 HD22 HG13 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' N ' HD23 ' A' ' 23' ' ' LEU . 13.6 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 HG23 ' HD3' ' B' ' 123' ' ' LYS . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -79.53 -39.11 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.1 mm? -53.41 -46.15 69.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.267 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.3 ptm180 -61.22 -39.33 89.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.301 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 64.7 mm-40 -69.42 -38.21 77.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 51.2 mtt180 -61.75 -41.97 98.36 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.766 177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.5 mt -65.86 -26.11 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.262 177.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.565 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 72.0 t -59.3 -44.19 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.303 0.573 . . . . 0.0 110.261 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.95 -15.7 62.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 25.9 mtm180 -102.57 -30.22 11.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 0.0 111.003 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 78.8 1.18 Allowed Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.072 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.92 -24.77 64.6 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.01 84.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -93.95 -25.29 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.657 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -159.93 26.66 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.422 HG23 HD23 ' A' ' 52' ' ' LEU . 12.1 t -170.93 135.24 1.03 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.952 0.406 . . . . 0.0 109.964 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -75.81 123.8 26.23 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 50' ' ' THR . 2.2 pp -140.99 27.09 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.567 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' B' ' 86' ' ' LEU . 98.3 Cg_endo -79.87 -171.97 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.573 2.182 . . . . 0.0 112.323 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.75 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.92 128.3 15.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.239 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.24 -12.06 34.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.6 m -109.98 19.65 18.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 110.541 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -52.0 -62.18 1.79 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.422 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 82.9 mtm180 -96.17 41.68 1.1 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.169 0.509 . . . . 0.0 110.128 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 64.36 -171.21 0.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.016 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 39.0 t -74.6 -42.31 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.601 0.239 . . . . 0.0 110.538 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.99 -60.93 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.949 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' B' ' 90' ' ' ARG . 0.8 OUTLIER -67.92 -65.73 0.66 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.651 -176.381 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -3.19 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -169.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.663 ' HB2' ' O ' ' B' ' 92' ' ' VAL . 0.0 OUTLIER -77.54 -60.0 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 171.043 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -71.3 -49.52 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.654 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 3.7 mm-40 -55.77 -44.32 77.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.023 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 103' ' ' VAL . 3.0 tm? -67.59 -55.46 13.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 -176.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -61.69 -30.82 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.642 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.591 ' O ' HG12 ' B' ' 105' ' ' VAL . 67.6 t80 -67.48 -37.42 82.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.024 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 16.5 ptm180 -77.07 -24.86 51.9 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 99' ' ' LEU . 13.0 t -68.93 -44.46 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.824 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.824 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 128' ' ' LEU . 69.9 mt -59.41 -48.7 80.64 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.9 mt-10 -52.77 -31.66 39.54 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.361 0.413 . . . . 0.0 111.582 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' B' ' 130' ' ' SER . 2.4 mpt_? -65.53 -25.46 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.303 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 37' ' ' LEU . 10.1 mp -88.8 -46.62 8.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.109 173.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.5 mp -47.02 -63.55 1.01 Allowed 'General case' 0 N--CA 1.457 -0.076 0 CA-C-O 120.932 0.396 . . . . 0.0 111.672 172.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.73 -14.39 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.919 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.586 ' HB2' ' O ' ' B' ' 126' ' ' ARG . 17.2 t -81.97 -13.29 57.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.477 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 90.08 21.72 37.94 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.119 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -94.54 -53.02 4.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.79 0.328 . . . . 0.0 110.169 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.798 -176.905 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -139.71 132.57 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.447 -177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -98.12 -4.76 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.76 -16.58 53.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.164 0.506 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 9' ' ' ASP . 48.6 mm -59.15 119.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -107.73 -172.13 2.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.379 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.07 -28.37 64.5 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.07 -53.29 21.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.842 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.563 ' HB3' HG23 ' A' ' 5' ' ' ILE . 16.5 t70 -82.58 -36.99 25.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.122 0.487 . . . . 0.0 110.95 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -68.94 -64.21 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.611 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -35.06 78.28 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.102 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -64.87 -38.81 92.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 17' ' ' VAL . 23.0 t80 -67.89 -52.61 34.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.232 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 17' ' ' VAL . 20.7 mm-40 -55.24 -53.91 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.745 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.1 mmmt -55.8 -34.22 65.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp -68.6 -42.38 78.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 1.4 p-10 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 27' ' ' ILE . 12.4 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 74.3 mm-40 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -62.88 -36.67 76.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.8 mm? -76.08 -26.26 56.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.082 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.5 mmt180 -61.63 -38.75 88.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 10.8 mm100 -60.84 -40.17 91.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 175.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -60.75 -41.29 95.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.15 0.5 . . . . 0.0 109.859 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.4 mt -69.66 -24.93 63.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.41 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' ARG . 53.1 t -62.83 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 109.772 173.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.06 -36.15 81.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.529 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -72.79 -33.75 66.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.874 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.18 -5.02 49.01 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.972 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.16 -31.0 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.364 0.266 . . . . 0.0 111.166 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . . . -96.7 6.41 48.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 110.184 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -97.58 -35.78 10.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.306 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.53 -89.3 1.03 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.709 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -151.16 104.9 3.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.463 . . . . 0.0 109.847 177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 112.82 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.66 44.13 0.33 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.504 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.244 -177.312 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -86.52 -171.53 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.714 2.276 . . . . 0.0 111.696 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.72 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -52.14 131.43 32.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.486 0.66 . . . . 0.0 111.683 177.372 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.16 -10.16 85.8 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.753 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 25.7 t -82.36 19.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.368 0.604 . . . . 0.0 110.346 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -76.44 -15.47 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' HB2' ' B' ' 94' ' ' ASP . 52.9 mtt180 -77.13 -94.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 61.86 -167.71 0.2 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.513 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.15 -45.5 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.314 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.13 -46.74 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.534 ' HB2' ' HA ' ' B' ' 90' ' ' ARG . 4.7 m-20 -78.29 -49.73 13.14 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.144 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -66.41 -4.14 7.57 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.11 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 73.3 ttt180 -83.1 -68.85 0.67 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.43 -40.61 96.07 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.8 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 7.0 mm-40 -66.01 -45.84 80.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.627 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.9 tm? -62.87 -49.52 74.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 11.5 mm100 -47.65 -43.68 26.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.664 0.268 . . . . 0.0 111.697 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' TYR . . . . . 0.672 ' O ' HG12 ' B' ' 105' ' ' VAL . 90.7 t80 -63.64 -43.73 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.619 -176.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' B' ' 106' ' ' GLN . 10.9 ptp180 -64.56 -29.39 70.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.542 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 99' ' ' LEU . 3.9 t -70.15 -41.98 79.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' TYR . . . . . 0.45 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . 0.672 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.672 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.638 ' HZ3' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.704 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 98.7 mt -66.51 -44.59 82.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 34.8 mt-10 -62.0 -32.61 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.273 0.358 . . . . 0.0 111.02 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 7.6 mmp_? -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.26 0.552 . . . . 0.0 109.541 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' B' ' 132' ' ' LEU . 0.8 OUTLIER -68.3 -37.65 80.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.903 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 77.1 mt -55.52 -54.48 43.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.229 0.537 . . . . 0.0 110.321 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.98 -22.93 67.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.296 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 19.8 t -83.67 -4.9 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.727 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.94 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.595 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' B' ' 127' ' ' LEU . 51.1 tp -76.4 -46.46 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.264 0.532 . . . . 0.0 111.129 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.844 -0.598 . . . . 0.0 110.597 -178.334 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 45.8 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 28' ' ' THR . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' HD22 ' B' ' 124' ' ' LEU . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.465 HG12 ' HG ' ' A' ' 16' ' ' LEU . 4.2 t . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.676 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.548 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.638 HG13 ' HE3' ' B' ' 112' ' ' LYS . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.638 ' HE3' HG13 ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 27' ' ' ILE . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.814 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.44 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.597 HD11 HG13 ' A' ' 34' ' ' ILE . 62.9 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.53 0.205 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.787 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HD22 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.787 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.3 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.0 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.559 HG23 HD11 ' B' ' 117' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HG3' HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.9 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' A' ' 16' ' ' LEU . 24.2 t . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 110.704 -0.109 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.613 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.424 ' O ' HD11 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.98 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.512 HD11 ' HG3' ' A' ' 30' ' ' LYS . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.98 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 11.1 p30 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.3 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.583 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.644 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.6 t-20 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.451 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.773 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.773 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.537 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.73 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.648 ' O ' HD22 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.735 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 8.9 p30 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' HE21 ' A' ' 24' ' ' GLN . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.73 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 32.2 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.2 mm-40 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.508 HG23 ' HD3' ' B' ' 123' ' ' LYS . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.618 0.247 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.489 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 16.0 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 34' ' ' ILE . 47.4 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.712 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.685 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.743 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 25.0 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.6 mm-40 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 16' ' ' LEU . 20.1 t . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.331 0.11 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.559 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t-20 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 27' ' ' ILE . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.543 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.7 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.476 HD11 HG13 ' A' ' 34' ' ' ILE . 77.9 mt . . . . . 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 17' ' ' VAL . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 61.9 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 16' ' ' LEU . 8.1 t . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.551 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.7 t-20 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.432 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 23' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.456 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.475 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 84.7 mt . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.656 0.265 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.766 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.766 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 21' ' ' GLU . 10.7 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 HD21 ' B' ' 117' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.639 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 32' ' ' GLU . 39.3 t . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.464 HG12 ' HG ' ' A' ' 16' ' ' LEU . 21.5 t . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.527 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.689 HG13 ' HE3' ' B' ' 112' ' ' LYS . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.555 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.689 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.417 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.777 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.777 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 34' ' ' ILE . 76.7 mt . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.623 0.249 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.795 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HD22 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.795 ' HG3' ' O ' ' A' ' 18' ' ' THR . 50.7 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.461 HG22 ' HG3' ' A' ' 31' ' ' GLU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 32' ' ' GLU . 27.9 t . . . . . 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.497 HG12 ' HG ' ' A' ' 16' ' ' LEU . 38.3 t . . . . . 0 CA--C 1.533 0.311 0 CA-C-O 120.441 0.163 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.652 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.567 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 121' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.634 ' HG3' ' O ' ' A' ' 18' ' ' THR . 32.1 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.3 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.496 HG12 ' HG ' ' A' ' 16' ' ' LEU . 3.8 t . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.571 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.488 HD22 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.453 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 12.7 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.735 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.414 HD12 HD12 ' B' ' 124' ' ' LEU . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 80.8 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.789 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.622 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' HD11 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.1 t . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.489 HG12 ' HG ' ' A' ' 16' ' ' LEU . 10.6 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 120.701 0.286 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.639 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.571 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.553 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.3 t-20 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.578 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 13.9 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.813 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.56 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.813 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 34' ' ' ILE . 80.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.765 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.765 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.558 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.557 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.536 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' B' ' 109' ' ' VAL . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 14.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 121' ' ' ILE . 83.4 mt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 ' H ' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD22 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.786 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 42.5 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.786 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.471 HG13 HD22 ' A' ' 20' ' ' ASN . 8.8 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 16.0 t-20 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.697 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt . . . . . 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.657 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.808 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.808 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 12.7 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' HD22 ' B' ' 124' ' ' LEU . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' B' ' 120' ' ' GLU . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 16' ' ' LEU . 9.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.596 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.503 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.546 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.787 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.493 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.787 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 34' ' ' ILE . 89.6 mt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.76 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.522 HD22 HG13 ' B' ' 103' ' ' VAL . 21.1 t-20 -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.7 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 20' ' ' ASN . 4.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.574 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.52 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 15.0 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 p30 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 18' ' ' THR . 23.2 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 117' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.439 HG12 ' HG ' ' A' ' 16' ' ' LEU . 11.4 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 120.536 0.208 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.588 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.58 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.443 ' O ' HD11 ' A' ' 23' ' ' LEU . 3.2 t-20 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.405 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.804 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.804 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 121' ' ' ILE . 85.1 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.4 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.501 HG23 ' HD3' ' B' ' 123' ' ' LYS . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.7 t . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.425 HG12 ' HG ' ' A' ' 16' ' ' LEU . 5.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.526 0.203 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.624 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.7 t-20 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.471 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.799 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' B' ' 118' ' ' ASP . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.799 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' B' ' 104' ' ' GLU . 15.9 tp . . . . . 0 C--O 1.236 0.377 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.72 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' HD22 ' A' ' 23' ' ' LEU . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 17' ' ' VAL . 4.9 p30 -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.72 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 27' ' ' ILE . 9.3 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 23' ' ' LEU . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 117' ' ' LEU . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.538 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.542 HG12 ' HG ' ' A' ' 16' ' ' LEU . 27.1 t . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 120.212 0.053 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.545 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.59 HD11 HG23 ' A' ' 27' ' ' ILE . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.857 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.442 HD11 ' CE ' ' A' ' 30' ' ' LYS . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.857 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 34' ' ' ILE . 67.8 mt . . . . . 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.697 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HD22 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.7 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' GLN . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.3 mm100 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.4 HG11 HG12 ' A' ' 17' ' ' VAL . 5.4 t . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.629 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.59 ' O ' HG23 ' B' ' 109' ' ' VAL . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.818 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.51 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.818 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 34' ' ' ILE . 64.0 mt . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' HA ' ' B' ' 104' ' ' GLU . 20.4 tp . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.719 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.636 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.438 HD22 HG13 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.0 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 HG23 ' HD3' ' B' ' 123' ' ' LYS . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 20' ' ' ASN . 13.0 t . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.578 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.402 ' HB3' ' OD1' ' A' ' 20' ' ' ASN . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.824 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.459 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.824 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.423 HD11 HG13 ' A' ' 34' ' ' ILE . 69.9 mt . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 ' HA ' ' ND2' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 10.1 p30 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.2 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 12.8 mm100 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.53 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' TYR . . . . . 0.45 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . 0.672 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' GLN . . . . . 0.672 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.471 ' HA ' HD12 ' B' ' 124' ' ' LEU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.495 ' N ' ' HG2' ' B' ' 123' ' ' LYS . 98.7 mt . . . . . 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 11.1 t70 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -83.59 -24.4 31.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.909 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.57 -50.21 4.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.976 0.417 . . . . 0.0 110.138 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 60.6 mt -75.09 99.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -96.79 -171.85 2.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.045 -176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -56.09 -32.35 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.3 mm-40 -52.05 -63.26 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.629 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.57 -33.45 73.9 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.963 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 32.6 tt0 -66.54 -59.61 3.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.969 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -51.35 -43.22 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.747 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 97.2 mtt180 -61.73 -38.37 87.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' HG13 ' A' ' 17' ' ' VAL . 22.2 t80 -74.86 -48.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.586 ' O ' HG22 ' A' ' 17' ' ' VAL . 85.6 mm-40 -54.15 -54.44 39.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.237 0.542 . . . . 0.0 111.435 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 31.7 mmmt -57.67 -34.21 69.14 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.263 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD11 ' HA ' ' B' ' 104' ' ' GLU . 11.8 tp -67.02 -45.56 77.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -63.49 -35.25 71.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.743 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -60.16 -43.81 95.5 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.795 177.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.603 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mm-40 -58.94 -44.61 91.43 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.079 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -47.49 84.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.494 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.7 mm-40 -60.17 -41.56 93.13 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 18' ' ' THR . 45.8 mt-30 -57.39 -64.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.599 0.714 . . . . 0.0 111.21 -176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -21.64 42.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.951 -164.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.23 -28.99 68.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.332 0.587 . . . . 0.0 109.443 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 28' ' ' THR . 2.5 ttm180 -74.63 -42.57 58.34 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.787 176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 23' ' ' LEU . 75.2 mt -61.13 -35.15 76.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.5 mt -61.49 -55.62 23.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.593 174.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.674 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -55.23 -34.15 63.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.896 -174.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 73.0 mm-40 -61.02 -51.35 69.61 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.615 0.721 . . . . 0.0 110.186 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' B' ' 121' ' ' ILE . 23.8 mmtp -68.41 -47.93 65.98 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.06 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.0 mm-40 -49.17 -52.99 23.19 Favored 'General case' 0 C--O 1.224 -0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.4 pt-20 -60.68 -35.55 76.53 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.474 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' HD22 ' B' ' 124' ' ' LEU . 35.6 ttmt -79.3 -42.51 25.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.819 0.342 . . . . 0.0 110.174 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.624 HG12 ' HB3' ' B' ' 120' ' ' GLU . 46.3 mt -63.92 -30.67 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.196 175.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -56.85 -40.41 76.06 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 122.989 0.516 . . . . 0.0 110.574 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.2 t -68.63 -40.33 81.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.013 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.747 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.2 mm? -58.05 -41.31 83.03 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.032 174.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.6 mmt180 -51.07 -49.71 60.09 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.451 0.469 . . . . 0.0 110.633 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.513 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -65.46 -39.12 91.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.558 -177.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -66.81 -36.48 82.47 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.675 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 58.7 mt -69.66 -27.82 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.001 175.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' ARG . 59.2 t -56.01 -46.34 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.546 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -66.7 -29.55 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.019 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 44' ' ' ARG . 53.3 mtp180 -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.351 0.596 . . . . 0.0 110.654 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.55 14.49 68.04 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.196 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 27.7 t70 -90.59 1.68 56.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 109.794 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.69 -36.64 16.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.023 -0.99 . . . . 0.0 113.158 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.66 -33.0 12.5 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.87 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.31 -125.47 7.0 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.1 m -142.66 94.96 2.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.056 0.455 . . . . 0.0 110.102 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -114.52 87.99 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.672 ' H ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -93.44 0.83 56.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.117 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 C--O 1.237 0.426 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.551 178.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -88.69 -172.03 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.968 2.445 . . . . 0.0 113.02 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -50.79 140.54 14.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.321 -0.854 . . . . 0.0 113.302 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.35 -3.52 33.12 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.148 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 8.4 p -79.16 -11.02 59.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.684 -0.258 . . . . 0.0 111.423 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -73.11 -50.27 23.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.235 0.541 . . . . 0.0 109.835 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.475 ' HB3' ' HB ' ' B' ' 93' ' ' VAL . 91.9 mtt180 -109.78 69.06 0.69 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.597 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 85.5 t80 -54.9 -53.84 50.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.586 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -65.48 -41.4 90.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.965 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' B' ' 90' ' ' ARG . 31.2 t -68.71 -57.41 8.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 70.4 m-20 -64.13 -55.61 20.72 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.054 -177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 2.9 m-20 -59.06 -10.53 2.69 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -71.92 -63.03 1.22 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -84.07 -43.8 14.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.479 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 40.0 mm-40 -62.09 -44.97 95.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.851 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.688 ' O ' HG23 ' B' ' 103' ' ' VAL . 3.5 tm? -65.53 -54.03 33.91 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.436 -176.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -59.55 -30.78 68.86 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.796 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.503 ' O ' HG12 ' B' ' 105' ' ' VAL . 78.6 t80 -69.36 -44.23 71.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.173 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.658 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.64 -22.06 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.489 -175.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.688 HG23 ' O ' ' B' ' 99' ' ' LEU . 4.2 t -70.05 -46.49 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.663 0.268 . . . . 0.0 110.571 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.676 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.7 pt-20 -65.7 -38.26 88.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.548 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -63.7 -41.87 94.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.025 174.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.7 mm-40 -59.51 -38.13 80.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.516 0.198 . . . . 0.0 110.698 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.3 0.571 . . . . 0.0 110.765 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -83.47 -47.78 11.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.107 0.48 . . . . 0.0 111.043 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.638 HG13 ' HE3' ' B' ' 112' ' ' LYS . 72.9 t -55.78 -52.34 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.172 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.468 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 13.6 m-85 -62.22 -32.79 73.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.161 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 62.1 tttp -68.01 -37.29 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.41 . . . . 0.0 110.655 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.638 ' HE3' HG13 ' B' ' 109' ' ' VAL . 4.4 pttp -70.88 -29.6 65.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.04 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 7.8 mm-40 -61.89 -45.04 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.38 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.7 mt -60.74 -32.75 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.609 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -71.09 -40.35 71.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.115 0.483 . . . . 0.0 110.016 178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -47.63 85.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.324 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 27' ' ' ILE . 2.1 mp -58.91 -32.6 69.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.284 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 28.8 t70 -61.03 -34.08 74.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.194 -176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.66 -40.09 84.49 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.836 0.827 . . . . 0.0 109.8 174.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.814 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -67.17 -28.73 68.35 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.879 175.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.626 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.8 -35.28 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 174.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.95 -41.36 97.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.814 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -70.76 -30.41 66.89 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.365 0.602 . . . . 0.0 109.932 178.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 62.9 mt -68.1 -35.45 78.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.672 174.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.626 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -64.94 -40.1 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.261 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 15.2 ptt180 -65.86 -32.76 74.47 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.724 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.526 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 18.9 tp -60.9 -56.54 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 170.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.7 mt -51.79 -64.04 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.237 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.07 -35.94 81.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.837 -171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 37.1 t -79.54 -15.63 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.266 0.555 . . . . 0.0 110.854 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.8 73.7 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.08 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' B' ' 127' ' ' LEU . 40.2 tp -58.17 -40.52 81.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.411 0.285 . . . . 0.0 111.088 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.245 0.837 0 O-C-N 123.641 0.588 . . . . 0.0 111.143 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 20.7 t70 -106.68 155.43 19.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 111.18 -177.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.54 -29.84 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.607 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.38 -47.84 4.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 9' ' ' ASP . 54.2 mt -67.09 110.8 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.291 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -87.98 -179.98 6.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.257 -174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 58.0 mttp -62.04 -15.17 42.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 23.2 mm-40 -54.01 -66.8 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.847 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 5' ' ' ILE . 14.5 t70 -79.9 -42.24 24.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.65 -61.91 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.925 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 57.8 mm-40 -61.74 -28.84 69.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -65.41 -41.88 93.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' O ' HG13 ' A' ' 17' ' ' VAL . 14.5 t80 -64.56 -44.9 89.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.076 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.69 -53.93 48.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.44 178.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 18' ' ' THR . 32.2 mmmt -60.12 -32.44 71.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.03 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.8 tp -64.74 -46.5 81.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -62.1 -35.85 70.97 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.514 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.787 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -59.38 -49.33 78.22 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.866 177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HD22 ' A' ' 23' ' ' LEU . 42.8 mt-10 -57.33 -42.21 81.47 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.045 0.45 . . . . 0.0 110.441 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -67.96 -40.74 83.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.71 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.8 mm-40 -66.94 -39.69 87.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.787 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.3 mt-30 -56.04 -62.52 1.65 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.516 0.674 . . . . 0.0 111.435 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -80.41 -19.05 47.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.364 -0.835 . . . . 0.0 112.596 -166.49 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.0 pt20 -68.6 -29.29 67.79 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.314 174.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 3.4 ttm180 -71.48 -42.07 68.53 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.402 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 23' ' ' LEU . 80.6 mt -62.03 -39.16 91.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.042 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.559 HG23 HD11 ' B' ' 117' ' ' LEU . 97.2 mt -57.51 -52.18 60.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.765 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.659 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -50.8 -45.22 59.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.608 179.65 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -55.13 38.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.197 0.522 . . . . 0.0 111.021 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HG3' HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -66.58 -40.73 89.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.245 -178.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 13.2 mm-40 -47.81 -56.2 7.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.6 mt-10 -50.36 -57.07 8.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.589 0.556 . . . . 0.0 110.495 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -56.66 -41.25 76.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.457 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.3 mt -69.28 -34.5 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.264 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 22.3 mmt180 -68.79 -39.9 79.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.373 0.606 . . . . 0.0 109.953 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.9 t -64.75 -29.81 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.962 176.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -62.72 -32.16 73.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.255 176.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.0 mtp180 -60.1 -40.96 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.778 0.323 . . . . 0.0 110.303 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.526 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 12.4 mm100 -64.7 -33.2 75.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 110.437 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.34 -38.77 91.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 172.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -66.52 -33.86 76.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 53.5 t -55.06 -46.03 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.302 174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.44 -32.33 73.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.581 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -75.84 -24.75 55.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 110.494 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 28.91 24.45 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.158 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.0 -21.59 63.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.175 0.512 . . . . 0.0 110.929 -175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.82 10.1 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.303 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -73.5 -7.48 51.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.288 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.95 -37.46 64.79 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -153.3 89.08 1.33 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.113 0.482 . . . . 0.0 109.911 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -115.94 130.27 56.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 109.723 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.6 mt -106.01 -27.08 11.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.231 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.237 179.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -86.75 -172.08 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 122.853 2.369 . . . . 0.0 111.582 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.819 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.32 152.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.533 0.682 . . . . 0.0 112.038 175.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.9 14.29 65.54 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.475 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -63.53 -2.1 1.48 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 89' ' ' ARG . 5.5 ptp180 -64.35 -23.77 67.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.312 . . . . 0.0 110.659 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -153.39 -33.86 0.11 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.254 0.549 . . . . 0.0 110.781 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.47 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 70.3 t80 -68.3 -10.63 56.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.036 -175.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.64 -30.51 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.026 0.441 . . . . 0.0 110.05 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.47 -44.92 76.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.627 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 4.6 m-20 -63.21 -50.24 71.04 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.415 176.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.7 t70 -51.3 -19.97 1.49 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.249 0.619 . . . . 0.0 112.079 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 42.8 ttp180 -72.46 -66.2 0.69 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' B' ' 97' ' ' ARG . 3.5 tmt_? -78.43 -50.4 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.383 0.611 . . . . 0.0 110.784 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 51.8 mm-40 -62.0 -47.92 82.63 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.334 -172.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.741 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.4 tm? -67.95 -47.77 67.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.663 -173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -61.46 -34.23 75.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.23 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.523 ' O ' HG12 ' B' ' 105' ' ' VAL . 85.3 t80 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.785 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 9.8 ptm180 -75.91 -22.32 56.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.163 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 99' ' ' LEU . 24.2 t -70.23 -44.0 78.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.704 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.613 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.3 pt-20 -64.26 -41.01 97.15 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.523 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -63.09 -42.35 96.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.961 174.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.3 mm-40 -61.58 -42.58 99.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.911 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.424 ' O ' HD11 ' A' ' 23' ' ' LEU . 41.6 t30 -50.98 -41.15 59.36 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.481 0.658 . . . . 0.0 110.817 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.29 -48.5 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.468 -178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 105' ' ' VAL . 96.7 t -60.28 -45.36 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.511 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.2 m-30 -60.55 -34.21 73.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 64.3 tttm -67.85 -35.21 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 57.5 mtpt -69.09 -29.8 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.651 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 17.8 mm-40 -62.69 -48.7 78.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.122 0.486 . . . . 0.0 109.887 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 78.9 mt -57.07 -31.12 36.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 36.5 mt-30 -66.72 -44.95 80.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.147 0.499 . . . . 0.0 110.402 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.67 99.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.162 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 49.2 mt -65.88 -27.29 68.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.382 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.2 t70 -67.76 -30.58 70.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.848 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.45 80.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.543 0.687 . . . . 0.0 109.47 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.98 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 5.3 mm-40 -74.56 -25.7 59.47 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.07 174.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.662 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -51.68 -33.9 15.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 O-C-N 120.965 -1.084 . . . . 0.0 109.774 171.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 39.9 ttp180 -66.08 -46.61 77.1 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 176.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.98 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 17.1 ptmt -57.86 -41.04 81.6 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 121.404 0.621 . . . . 0.0 109.869 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.5 mt -62.72 -52.21 64.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.124 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.9 mt-10 -56.28 -35.81 67.91 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.014 0.196 . . . . 0.0 111.097 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 22.4 mmm180 -54.55 -49.61 69.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.943 0.401 . . . . 0.0 110.391 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.59 -37.86 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.018 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 71.6 mt -53.08 -56.37 16.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.598 177.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.59 -31.51 72.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.471 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 27.4 t -66.78 -25.01 66.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.534 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.27 16.49 6.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.478 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 37.1 tp -69.72 -43.7 71.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.983 0.421 . . . . 0.0 110.099 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.67 178.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.876 0.37 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.65 -31.55 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.459 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.12 -22.72 55.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.73 -40.11 14.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.201 0.524 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 9' ' ' ASP . 42.4 mt -72.4 138.94 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.819 177.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -91.26 169.1 11.1 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 32.5 ttmt -60.46 -23.49 64.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -46.87 -67.1 0.31 Allowed 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 114.587 -1.188 . . . . 0.0 112.116 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 5' ' ' ILE . 12.6 t70 -71.89 -26.03 62.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 31.3 tt0 -65.31 -59.67 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 45.0 mt-10 -60.19 -31.51 70.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.724 -0.217 . . . . 0.0 110.505 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -55.45 -52.75 62.59 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.023 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' O ' HG13 ' A' ' 17' ' ' VAL . 27.0 t80 -62.83 -53.39 55.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.766 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 17' ' ' VAL . 38.1 mt-30 -50.08 -58.39 5.64 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.916 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 63.8 mmtt -57.15 -33.13 67.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.78 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' B' ' 104' ' ' GLU . 21.8 tp -66.94 -43.19 83.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.869 0.366 . . . . 0.0 110.71 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.15 -35.82 76.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -66.28 -38.42 87.75 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.566 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 40.6 mt-10 -54.52 -40.97 69.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.782 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 11.1 p30 -81.82 -27.45 33.61 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.303 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 16.9 mm-40 -61.34 -43.36 99.01 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.116 0.484 . . . . 0.0 111.102 175.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' THR . 13.3 mt-30 -60.16 -61.02 2.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.577 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.17 -18.02 50.84 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -168.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -63.72 -33.37 75.5 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.221 -0.591 . . . . 0.0 109.734 173.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 28' ' ' THR . 5.5 ttm180 -67.19 -39.49 86.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.778 0.799 . . . . 0.0 109.542 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 23' ' ' LEU . 50.9 mt -68.32 -28.9 67.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.234 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.9 mt -69.17 -56.21 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.208 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -37.62 66.12 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.434 -174.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.05 -35.03 71.79 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.919 0.39 . . . . 0.0 111.263 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -75.72 -47.08 27.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.5 mm-40 -47.24 -54.57 10.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.472 176.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.9 pt-20 -60.32 -35.91 76.72 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.09 -46.24 74.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.215 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 56.9 mt -65.23 -30.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.248 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 23.1 mtm180 -57.97 -40.76 81.43 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.409 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.33 -38.23 82.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.272 0.558 . . . . 0.0 109.824 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.697 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.8 mm? -65.13 -39.74 93.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.047 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 ptt180 -63.56 -36.47 83.9 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.568 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 10.9 mm100 -64.19 -36.6 84.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.283 0.563 . . . . 0.0 110.312 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -66.94 -44.94 79.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.504 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 37.9 mt -60.06 -27.39 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.042 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' ARG . 55.7 t -57.2 -46.05 84.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.351 . . . . 0.0 110.494 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.05 -28.15 69.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.683 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -84.26 -32.08 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.857 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.4 2.82 53.76 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.3 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 9.0 t70 -74.0 -28.89 61.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.415 0.626 . . . . 0.0 110.403 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.32 13.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.979 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 7.5 tmtt? -61.72 -43.26 99.2 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.8 150.82 10.5 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.571 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.1 m -106.27 88.97 2.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.352 0.596 . . . . 0.0 109.567 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -103.56 100.04 9.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.32 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.28 43.78 1.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.299 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.545 -177.725 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 112.317 -0.313 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.415 ' HB2' HD23 ' B' ' 86' ' ' LEU . 65.0 Cg_endo -85.17 -170.88 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.271 2.647 . . . . 0.0 111.784 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG ' ' B' ' 86' ' ' LEU . 2.3 pt? -45.58 101.62 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.664 0.745 . . . . 0.0 111.687 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.44 -70.01 0.58 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.645 -177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 23.1 m -91.38 -35.7 14.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.621 0.248 . . . . 0.0 111.494 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.519 ' HB2' ' OD2' ' B' ' 94' ' ' ASP . 24.3 mmt180 -81.15 -71.64 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.49 -175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 90' ' ' ARG . 49.0 mtt180 62.7 -173.58 0.15 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.391 0.432 . . . . 0.0 111.015 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 56.91 -151.66 0.41 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.481 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.14 -27.69 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.74 -49.32 78.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.507 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.645 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.6 OUTLIER -78.84 -25.04 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 178.436 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 6.5 m-20 -64.34 -17.58 63.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.269 0.557 . . . . 0.0 109.902 172.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 29.6 ttm180 -92.5 -61.71 1.55 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.469 ' HD3' ' OD1' ' B' ' 94' ' ' ASP . 49.5 ttt180 -47.62 -51.43 21.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.43 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 47.3 mt-10 -74.65 -38.0 62.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -175.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.642 ' O ' HG23 ' B' ' 103' ' ' VAL . 0.6 OUTLIER -66.34 -53.52 35.22 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.309 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 21.2 pt20 -63.19 -30.02 71.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.703 ' O ' HG12 ' B' ' 105' ' ' VAL . 60.1 t80 -51.64 -46.17 63.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.303 175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.552 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 42.4 ptt85 -80.8 -21.81 40.6 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.481 -176.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 99' ' ' LEU . 9.5 t -72.58 -42.49 63.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.669 0.271 . . . . 0.0 110.69 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -68.85 -42.01 77.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.638 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.703 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.4 OUTLIER -61.89 -36.86 76.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.073 176.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.59 -42.89 89.1 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.867 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.644 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.6 t-20 -60.16 -45.72 92.11 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.175 0.512 . . . . 0.0 110.725 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.12 -49.51 64.65 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.032 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 105' ' ' VAL . 90.0 t -59.12 -44.02 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.317 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.506 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 9.6 m-30 -62.76 -35.04 78.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.3 tptp -63.16 -39.51 94.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.195 0.521 . . . . 0.0 109.654 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -67.9 -32.19 72.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.071 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -64.08 -44.71 91.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.52 -38.17 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.4 mt-30 -64.74 -40.37 95.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 110.257 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.14 80.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.47 0.652 . . . . 0.0 109.689 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.451 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -57.48 -31.24 65.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.272 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.9 t70 -66.78 -30.28 70.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 0.0 110.703 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.15 -41.51 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.614 0.721 . . . . 0.0 109.247 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.773 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -64.53 -27.78 69.2 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.633 174.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.575 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.53 -32.7 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.99 -0.444 . . . . 0.0 110.328 173.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' B' ' 122' ' ' ARG . 15.5 tpt180 -64.08 -45.82 87.03 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.1 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.773 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.2 ptmt -60.37 -36.67 78.6 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.301 0.572 . . . . 0.0 109.644 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.63 ' O ' HD13 ' B' ' 128' ' ' LEU . 78.4 mt -61.83 -50.1 73.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.342 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 53.3 mt-10 -55.83 -33.82 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.626 0.25 . . . . 0.0 111.457 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 65.2 mtp180 -63.68 -24.26 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' B' ' 132' ' ' LEU . 12.4 tp -87.0 -58.42 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.219 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.1 mp -46.91 -67.87 0.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.071 0.949 . . . . 0.0 113.031 176.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.85 -29.45 70.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.648 -171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 29.5 t -72.7 -10.66 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.142 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.85 18.01 64.34 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.961 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' B' ' 127' ' ' LEU . 81.9 mt -79.41 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.41 ' HB ' HD21 ' B' ' 127' ' ' LEU . 15.1 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.35 173.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -55.5 20.77 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.503 0.502 . . . . 0.0 111.777 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -82.73 6.45 18.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.89 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.88 -16.11 20.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 111.414 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.42 131.87 26.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.169 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -110.19 -169.35 1.45 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.541 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.612 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 17.1 ttmt -62.56 -22.92 66.7 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.957 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -42.8 -51.93 5.22 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.149 0.579 . . . . 0.0 112.319 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -72.46 -41.18 66.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.774 0.321 . . . . 0.0 110.848 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -58.64 -60.21 4.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.083 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 6.3 pt-20 -62.0 -29.0 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.95 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -65.19 -46.68 79.77 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 t80 -59.88 -47.93 83.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.434 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 17' ' ' VAL . 32.3 mm-40 -51.53 -55.25 20.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.761 177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.9 mmtt -64.74 -26.21 68.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.634 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' B' ' 104' ' ' GLU . 25.6 tp -66.83 -39.34 87.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER -66.57 -35.92 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.47 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.73 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -61.27 -42.46 98.67 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.443 177.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.648 ' O ' HD22 ' A' ' 23' ' ' LEU . 21.4 mm-40 -57.42 -43.8 84.09 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.564 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.735 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 8.9 p30 -78.0 -24.76 47.84 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.434 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HA ' HE21 ' A' ' 24' ' ' GLN . 21.0 mm-40 -74.95 -37.13 62.04 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.934 -0.479 . . . . 0.0 111.857 176.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.73 ' HG3' ' O ' ' A' ' 18' ' ' THR . 81.6 mt-30 -55.24 -57.86 10.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -79.63 -17.7 53.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.996 -171.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.735 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 32.2 mt-30 -48.59 -47.19 39.93 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.344 0.592 . . . . 0.0 110.666 168.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -66.41 -41.89 88.59 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.622 177.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 23' ' ' LEU . 72.5 mt -64.29 -34.38 77.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.116 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 23' ' ' LEU . 83.9 mt -63.34 -52.21 61.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.846 172.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.01 -34.83 63.78 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.512 -177.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.2 mm-40 -62.54 -57.23 11.87 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.662 0.744 . . . . 0.0 110.316 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -69.25 -43.45 73.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.541 -174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -46.84 -61.78 1.7 Allowed 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.7 pt-20 -60.09 -33.59 72.3 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -67.29 -45.37 76.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 0.0 110.053 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.508 HG23 ' HD3' ' B' ' 123' ' ' LYS . 53.5 mt -68.82 -30.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.33 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 99.4 mtt180 -59.03 -36.52 75.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.29 -38.97 71.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.262 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.775 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.7 mm? -60.32 -36.57 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.719 173.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 ttt180 -64.66 -41.1 96.33 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.805 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 13.4 mm100 -61.84 -40.73 96.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.206 0.527 . . . . 0.0 110.56 175.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -66.34 -34.49 78.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.391 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 50.6 mt -67.4 -26.37 66.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.57 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' ARG . 70.4 t -61.83 -47.06 95.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.777 0.323 . . . . 0.0 110.503 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.84 -27.93 65.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -70.46 -35.09 73.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.827 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.9 26.2 8.6 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.057 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 18.3 t70 -68.99 -30.7 69.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.279 -176.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.55 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 110.865 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.93 -12.5 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.189 0.518 . . . . 0.0 109.925 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.13 97.36 0.87 Allowed Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.9 m -143.21 121.43 12.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -85.88 111.41 20.19 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.168 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.559 HD22 ' H ' ' A' ' 52' ' ' LEU . 1.9 mm? -75.93 67.27 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.075 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 178.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.33 -170.58 0.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.855 2.37 . . . . 0.0 112.251 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.55 148.9 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.672 0.749 . . . . 0.0 112.713 176.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.47 9.93 71.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.049 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -73.84 -3.55 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.782 0.325 . . . . 0.0 111.26 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -100.11 6.42 44.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.466 -177.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -77.05 139.17 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.279 -176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -47.47 -49.93 24.33 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -171.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.77 -30.51 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.975 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.19 -44.83 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.566 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 32.9 m-20 -68.74 -54.06 18.29 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.608 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.63 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.8 OUTLIER -55.94 -18.86 10.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.955 0.407 . . . . 0.0 112.06 -171.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -83.7 -46.92 11.75 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 122.024 -0.422 . . . . 0.0 110.361 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.544 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 4.9 tmm_? -88.32 -49.51 6.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 -178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.544 ' HG2' ' NH1' ' B' ' 97' ' ' ARG . 43.6 mm-40 -56.76 -47.52 79.9 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.461 0.704 . . . . 0.0 112.097 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 1.8 tm? -70.41 -47.22 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.79 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.28 -31.78 73.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.486 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.599 ' O ' HG12 ' B' ' 105' ' ' VAL . 76.6 t80 -61.19 -41.64 97.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.625 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 5.3 ptp180 -73.32 -22.9 60.22 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.801 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 99' ' ' LEU . 12.4 t -69.34 -45.07 79.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -66.35 -39.24 89.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -65.19 -38.41 82.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.896 175.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 20.0 mm-40 -57.76 -46.63 84.26 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -53.31 -51.69 61.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.601 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -64.23 -49.84 70.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.125 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.8 t -57.96 -47.19 87.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.363 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.489 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.8 m-85 -62.22 -32.41 73.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.459 . . . . 0.0 110.458 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.697 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 39.1 ttmt -70.17 -42.01 73.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.588 177.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 55.5 mtpt -60.56 -31.13 70.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.887 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.85 -49.71 73.81 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 23' ' ' LEU . 71.6 mt -60.8 -35.73 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.119 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 16.0 mt-30 -63.2 -45.02 93.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.182 0.515 . . . . 0.0 110.598 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.06 83.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.806 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.6 OUTLIER -55.63 -32.14 62.9 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.159 177.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.49 -31.91 73.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.066 0.46 . . . . 0.0 110.826 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.98 -43.75 74.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.73 0.776 . . . . 0.0 109.372 173.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -63.44 -28.25 69.84 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.98 174.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -55.6 -31.25 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 122.104 -0.373 . . . . 0.0 110.304 174.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 19.3 tpp180 -60.8 -43.89 97.56 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.39 174.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' B' ' 120' ' ' GLU . 1.0 OUTLIER -66.77 -32.58 73.97 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 128' ' ' LEU . 47.4 mt -65.4 -49.12 70.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.758 174.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 46.7 mt-10 -58.89 -28.16 65.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.618 0.247 . . . . 0.0 111.103 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -59.16 -44.86 92.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.202 0.525 . . . . 0.0 109.775 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' B' ' 132' ' ' LEU . 14.6 tp -63.47 -62.14 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.328 176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.552 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.2 mp -45.1 -67.02 0.32 Allowed 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.84 0.856 . . . . 0.0 112.816 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.34 -34.22 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -170.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 31.1 t -82.2 -22.54 35.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.897 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.45 29.1 60.41 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.854 -0.688 . . . . 0.0 111.49 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.482 ' HB3' HD12 ' B' ' 127' ' ' LEU . 54.6 tp -62.94 -46.65 86.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.595 -0.303 . . . . 0.0 111.159 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 C--O 1.248 0.994 0 O-C-N 123.772 0.67 . . . . 0.0 111.447 179.79 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.023 0.439 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.74 33.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.093 0.473 . . . . 0.0 110.864 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -91.48 -50.26 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.82 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.41 -33.89 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.034 176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.3 mt -86.9 137.85 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.767 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -107.32 173.52 6.29 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -56.21 -29.56 61.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -47.82 -54.33 12.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.829 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.1 -29.45 26.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.07 -175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.03 -55.6 24.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -54.19 -39.46 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.184 0.516 . . . . 0.0 110.51 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -63.37 -43.29 98.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.951 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.7 t80 -70.9 -50.09 38.78 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.243 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' VAL . 35.7 mt-30 -52.43 -54.26 34.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.135 0.493 . . . . 0.0 111.794 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' O ' ' HB ' ' A' ' 18' ' ' THR . 58.4 mmtt -64.96 -24.59 67.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.5 tp -68.6 -45.15 72.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.14 -32.93 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.712 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 20.3 m -59.67 -56.8 17.33 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.717 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.685 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -55.04 -36.66 65.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.969 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.743 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 63.9 t30 -72.17 -38.76 69.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.833 -176.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 mm-40 -80.08 -34.34 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.712 ' HG3' ' O ' ' A' ' 18' ' ' THR . 51.5 mt-30 -54.19 -57.2 12.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.272 0.558 . . . . 0.0 110.942 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -77.24 -18.8 57.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.282 -172.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 25.0 mt-30 -53.39 -47.74 69.24 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.567 0.699 . . . . 0.0 109.56 168.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.0 ttt180 -64.91 -43.07 94.03 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.145 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.9 mt -64.41 -33.1 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.557 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.5 mt -66.14 -55.06 20.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.19 172.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -54.73 -34.68 62.79 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.9 -175.026 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.6 mm-40 -59.58 -54.65 44.02 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.836 0.827 . . . . 0.0 110.196 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -68.5 -48.69 63.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 19.0 mm-40 -49.57 -49.82 44.82 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 28' ' ' THR . 8.5 pt-20 -62.6 -34.78 77.7 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.325 0.512 . . . . 0.0 111.231 -176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.97 -47.67 28.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.8 mt -64.48 -29.22 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.56 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 29.2 ttt180 -51.4 -48.87 62.48 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 123.212 0.605 . . . . 0.0 110.66 176.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.14 -38.0 81.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -63.84 -42.35 97.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.918 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 2.0 ptp180 -69.22 -34.55 75.02 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.387 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 15.2 mm100 -57.17 -42.49 81.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.114 0.483 . . . . 0.0 110.88 170.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 20.7 mtp180 -63.21 -42.72 99.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.315 175.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.3 mt -71.5 -17.79 62.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.645 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 37.3 t -61.33 -36.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.581 0.705 . . . . 0.0 109.237 171.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -76.71 -15.04 59.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.933 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HE ' ' HB2' ' A' ' 46' ' ' ASP . 7.5 ptt180 -93.03 -32.53 14.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.698 0.761 . . . . 0.0 109.394 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.13 36.09 2.04 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.482 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB2' ' HE ' ' A' ' 44' ' ' ARG . 20.1 t70 -90.23 -31.36 17.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.0 110.778 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.49 -12.3 60.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.282 0.563 . . . . 0.0 109.857 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -64.83 -26.74 68.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.832 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.27 -14.78 80.45 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.013 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.3 m -108.95 92.63 4.13 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 129.85 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.9 mt -119.82 1.17 10.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.844 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 0.0 111.227 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -82.58 -172.42 1.41 Allowed 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.586 2.191 . . . . 0.0 112.615 -176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.52 145.92 2.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.901 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.22 65.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.365 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 10.3 p -79.14 -31.87 44.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.491 0.186 . . . . 0.0 111.481 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 77.5 mtp180 -78.81 -50.57 11.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.796 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 49.61 62.65 2.53 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 123.685 0.615 . . . . 0.0 110.976 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 61.51 -154.01 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.242 -177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.46 -1.3 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.004 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.25 -64.51 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.573 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 1.5 m-20 -72.42 -39.73 67.68 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.367 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 3.3 m-20 -54.87 -19.24 6.12 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -82.4 -65.48 1.01 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.416 ' HA ' ' OE1' ' B' ' 100' ' ' GLN . 5.0 tmm_? -69.71 -40.07 76.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.592 -176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 70.0 mm-40 -66.45 -45.99 77.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.713 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.2 tm? -61.88 -48.42 80.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.563 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' B' ' 97' ' ' ARG . 4.8 pt20 -67.23 -31.16 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.486 ' O ' HG12 ' B' ' 105' ' ' VAL . 88.8 t80 -67.42 -44.17 79.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.98 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.7 OUTLIER -64.39 -27.53 69.07 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.768 -176.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.713 HG23 ' O ' ' B' ' 99' ' ' LEU . 20.1 t -69.56 -43.43 80.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 121.226 -0.189 . . . . 0.0 111.198 -177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.598 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -67.42 -35.15 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.559 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -68.11 -42.25 84.88 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.81 173.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.0 mm-40 -59.84 -42.43 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 3.3 t-20 -51.76 -38.05 53.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.093 0.473 . . . . 0.0 111.065 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -85.0 -50.08 7.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.869 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 105' ' ' VAL . 43.5 t -60.37 -38.14 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.061 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 27' ' ' ILE . 5.2 m-30 -70.03 -31.1 68.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.573 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 29.4 tptp -65.86 -40.13 91.4 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.5 mtpp -64.76 -31.29 72.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.712 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.427 ' HG3' ' HA ' ' B' ' 110' ' ' TYR . 24.3 mt-10 -63.32 -45.86 89.34 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.221 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.543 HD11 ' HB2' ' A' ' 23' ' ' LEU . 73.1 mt -60.18 -37.89 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.8 mt-30 -65.17 -40.97 95.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.067 0.461 . . . . 0.0 110.333 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.1 -44.94 87.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.919 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -59.25 -27.39 65.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.364 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 26.6 t70 -68.62 -34.38 75.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.033 0.444 . . . . 0.0 111.063 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.899 0.857 . . . . 0.0 109.035 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.7 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.15 -28.39 69.38 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.544 174.064 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.661 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.1 mp -54.02 -36.86 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.861 -0.525 . . . . 0.0 110.497 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -61.39 -42.56 98.92 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 1.6 ptmt -64.4 -30.5 71.54 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.414 0.626 . . . . 0.0 110.253 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 77.9 mt -72.4 -46.84 53.38 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.629 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.661 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 59.1 mt-10 -56.46 -42.81 78.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.597 -177.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.4 -35.42 79.17 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.869 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 46.5 tp -75.69 -36.04 60.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.728 0.299 . . . . 0.0 110.35 176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 81.0 mt -54.76 -57.9 9.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.348 175.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.9 -25.03 66.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.033 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 38.5 t -65.54 -12.96 57.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 116.31 25.64 3.43 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.971 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.94 -61.66 1.93 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.54 0.686 . . . . 0.0 109.256 174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.545 177.864 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -114.32 142.62 46.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -93.13 -4.68 51.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.743 0.306 . . . . 0.0 111.381 -175.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.92 -47.74 3.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 110.047 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.99 100.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.923 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -88.06 178.14 6.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.063 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -58.42 -25.91 62.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 7.0 tp10 -52.28 -63.55 1.1 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.787 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.55 -38.25 89.3 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.799 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.33 -61.16 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.885 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -55.24 -33.67 63.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.662 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 6.1 mmp_? -62.47 -39.26 92.84 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 0.0 110.246 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.621 ' O ' HG13 ' A' ' 17' ' ' VAL . 36.9 t80 -74.59 -46.47 38.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.49 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.7 mm-40 -54.12 -55.46 27.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.713 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.6 mmmt -56.72 -30.47 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.203 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.0 tp -70.45 -47.13 62.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.2 m -65.05 -31.06 52.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.8 m -60.96 -52.75 63.71 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.103 176.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HB3' ' ND2' ' B' ' 107' ' ' ASN . 43.9 mt-10 -51.38 -41.57 60.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 O-C-N 123.66 0.6 . . . . 0.0 110.394 177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.6 m-80 -64.18 -59.17 4.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -56.8 -30.5 63.75 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' ' 18' ' ' THR . 65.3 mt-30 -59.72 -63.58 1.25 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.207 0.527 . . . . 0.0 110.561 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -78.68 -18.3 54.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.115 -173.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 61.9 mt-30 -54.42 -46.17 73.12 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.408 0.623 . . . . 0.0 109.88 166.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 4.6 ttt180 -64.81 -45.38 86.5 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.934 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 63.4 mt -60.34 -40.1 89.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.649 -177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.8 mt -59.76 -54.94 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.094 171.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -54.02 -36.05 62.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.594 -176.054 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 18.9 mt-30 -60.98 -50.42 73.46 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 122.035 0.921 . . . . 0.0 109.67 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HD2' HD11 ' B' ' 121' ' ' ILE . 44.4 mmtm -73.56 -41.17 63.29 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.021 -175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.6 mm-40 -57.86 -43.14 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.9 pt-20 -67.19 -32.76 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.734 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -73.39 -45.14 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.927 0.394 . . . . 0.0 110.469 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' B' ' 120' ' ' GLU . 72.0 mt -64.77 -32.08 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.358 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 15.6 ttt180 -52.73 -43.79 65.96 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.187 0.595 . . . . 0.0 111.125 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -66.71 -40.35 85.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.213 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.709 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.5 mm? -64.11 -33.92 76.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.435 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.4 mmm180 -59.33 -47.08 86.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.582 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.619 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 mm100 -62.63 -33.6 75.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.239 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 40' ' ' ARG . 21.5 mtp180 -66.91 -42.17 85.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.852 175.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 8.4 mt -74.06 -15.97 61.05 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.309 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.619 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 40.4 t -61.73 -37.19 77.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 169.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.321 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -81.38 -36.22 29.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.297 0.57 . . . . 0.0 109.528 176.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.46 22.46 6.1 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.523 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.57 -30.65 64.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 111.009 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.18 78.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.416 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 46.7 tptt -75.57 -23.26 56.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 109.942 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.82 18.21 22.11 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 176.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -126.9 102.18 6.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.97 131.41 42.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.936 0.875 . . . . 0.0 112.343 -175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.01 17.79 2.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.63 -1.168 . . . . 0.0 108.583 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.952 -175.186 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.34 -171.88 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.886 2.39 . . . . 0.0 112.554 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.32 154.07 0.19 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.63 0.729 . . . . 0.0 112.839 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.07 11.59 28.4 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.378 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -102.83 18.46 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.058 0.456 . . . . 0.0 110.226 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.61 7.23 12.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.076 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -130.08 -163.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 69.84 -165.75 0.17 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.523 0.515 . . . . 0.0 111.294 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.8 -40.88 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.612 -175.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.03 -29.58 43.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.483 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.718 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 16.2 t70 -77.04 -57.41 3.86 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.19 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 14.9 m-20 -60.0 -28.63 67.87 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.992 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -87.75 -70.37 0.63 Allowed 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.939 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -76.57 -40.83 48.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.852 0.358 . . . . 0.0 111.23 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.718 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.3 mm-40 -72.2 -34.97 68.79 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.705 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.9 tm? -62.91 -54.62 35.73 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.944 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 8.6 mm100 -50.3 -45.31 54.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.024 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.558 ' O ' HG12 ' B' ' 105' ' ' VAL . 62.8 t80 -64.33 -40.11 95.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.975 -176.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.633 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 12.8 ptt180 -77.61 -21.92 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.015 -0.674 . . . . 0.0 111.965 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 99' ' ' LEU . 8.1 t -68.25 -43.78 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.251 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.734 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.3 pt-20 -65.68 -40.8 92.72 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.633 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.3 OUTLIER -66.09 -41.13 88.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.188 175.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.3 mm-40 -57.1 -41.95 79.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.638 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.551 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 6.7 t-20 -51.87 -51.06 59.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.142 0.496 . . . . 0.0 110.781 173.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.88 -47.06 69.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.273 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.4 t -56.52 -49.04 79.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.372 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.432 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.6 m-30 -63.41 -27.95 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.066 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 25.0 ttmm -67.31 -43.61 81.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.1 mtpp -61.76 -36.85 82.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.183 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 6.0 mm-40 -57.9 -53.87 53.36 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.56 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 23' ' ' LEU . 79.1 mt -56.54 -34.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.866 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.614 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 54.8 mt-30 -64.91 -43.41 92.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.256 0.551 . . . . 0.0 110.284 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.24 82.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.429 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 50.5 mt -64.2 -27.71 69.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.483 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 23.0 t70 -65.53 -31.42 72.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.865 0.364 . . . . 0.0 110.295 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.03 92.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.522 0.677 . . . . 0.0 109.63 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -67.58 -28.73 68.01 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.895 173.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.567 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.32 -33.13 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 121.787 -0.57 . . . . 0.0 109.959 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -65.46 -38.08 88.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.596 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.5 -33.08 74.37 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.493 0.663 . . . . 0.0 109.363 176.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.676 ' O ' HD13 ' B' ' 128' ' ' LEU . 84.7 mt -70.07 -49.88 46.61 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.68 177.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.2 mt-10 -52.29 -41.88 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -65.3 -32.4 74.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.6 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' B' ' 132' ' ' LEU . 1.0 OUTLIER -69.14 -54.04 17.0 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.2 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.676 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.0 mp -47.53 -66.98 0.32 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.195 0.998 . . . . 0.0 112.808 173.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.47 -22.78 67.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.572 -172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.414 ' HB3' HD23 ' B' ' 132' ' ' LEU . 22.7 t -75.48 -6.47 50.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.092 0.472 . . . . 0.0 110.53 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 92.97 18.35 40.42 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 127' ' ' LEU . 3.9 mm? -91.24 -22.9 20.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.946 0.403 . . . . 0.0 110.098 176.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 77.3 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.027 177.788 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.738 0.304 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.0 34.28 0.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.974 0.416 . . . . 0.0 111.071 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -70.0 -50.79 38.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.372 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.52 -46.11 10.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.02 0.438 . . . . 0.0 109.923 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.96 108.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.775 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -106.47 -169.99 1.65 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.255 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -59.33 -30.71 68.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 120.919 0.39 . . . . 0.0 110.282 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -51.36 -65.58 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.671 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.14 -37.37 79.88 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -65.19 -64.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.678 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.8 -34.18 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 12' ' ' ARG . 3.7 tpm_? -65.14 -35.06 79.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.173 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.9 t80 -76.61 -46.97 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.572 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.1 mm100 -52.79 -56.05 18.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.713 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' HB ' ' A' ' 18' ' ' THR . 64.5 mmtt -59.07 -32.15 69.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.478 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' B' ' 104' ' ' GLU . 16.4 tp -64.61 -44.2 91.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.604 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -62.61 -34.45 65.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.766 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -62.07 -51.29 68.53 Favored 'General case' 0 N--CA 1.43 -1.441 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.867 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -54.05 -44.45 71.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -64.58 -42.53 95.55 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.854 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 15.8 mm-40 -67.7 -37.76 82.71 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.766 ' HG3' ' O ' ' A' ' 18' ' ' THR . 66.5 mt-30 -57.11 -63.27 1.27 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.425 0.631 . . . . 0.0 111.326 -176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.3 -19.08 47.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.546 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 21' ' ' GLU . 10.7 pt20 -67.15 -31.38 71.77 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.05 177.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 19.8 ttt180 -67.23 -47.98 69.18 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 174.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 23' ' ' LEU . 52.0 mt -60.63 -30.71 70.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.578 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG23 HD21 ' B' ' 117' ' ' LEU . 83.5 mt -67.64 -56.27 13.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.558 172.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.5 -34.14 56.94 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.79 -175.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 23.8 mt-30 -57.67 -58.3 8.96 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.921 0.867 . . . . 0.0 110.061 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HD2' HD11 ' B' ' 121' ' ' ILE . 29.6 mmtp -72.47 -43.87 63.11 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.728 -175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 3.4 mm-40 -47.1 -60.26 2.59 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.3 pt-20 -58.97 -37.39 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.223 -175.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -68.3 -41.01 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.035 0.445 . . . . 0.0 110.33 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.514 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.2 mt -65.26 -34.87 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.679 177.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.672 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 83.1 mtt180 -62.91 -32.23 73.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 32' ' ' GLU . 39.3 t -67.2 -42.36 87.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.492 0.663 . . . . 0.0 109.497 174.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -60.35 -38.94 85.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.902 171.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.5 mtp180 -63.66 -39.1 93.49 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 26.7 mm-40 -57.2 -38.61 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.481 0.658 . . . . 0.0 110.304 175.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 28.2 mtp180 -64.35 -44.91 89.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.26 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 2.5 mt -71.13 -16.24 62.54 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.705 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.635 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 17.5 t -61.3 -30.92 48.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.772 0.796 . . . . 0.0 109.155 172.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.68 -27.36 61.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.288 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 2.4 ptp180 -80.86 -31.74 35.26 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.393 0.616 . . . . 0.0 109.386 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.7 33.99 0.58 Allowed Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.987 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.55 -25.35 57.08 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 42' ' ' VAL . . . -83.29 13.57 4.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.408 -177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -83.72 -43.51 15.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.134 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 -72.4 2.74 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.642 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 t -156.01 89.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.355 0.597 . . . . 0.0 111.212 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 37.02 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.23 109.14 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.56 0.695 . . . . 0.0 110.466 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.5 t30 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.427 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.38 -172.76 1.54 Allowed 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.398 2.065 . . . . 0.0 112.626 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.0 115.41 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.781 0.8 . . . . 0.0 112.414 -179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.86 -37.93 1.34 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.139 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.3 t -93.1 18.83 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.297 . . . . 0.0 111.585 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.469 ' HG2' ' OD1' ' B' ' 95' ' ' ASP . 69.2 mtp180 -94.56 -72.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.818 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 58.58 76.29 0.35 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.364 0.602 . . . . 0.0 111.355 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 62.47 -165.09 0.24 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.99 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 m -90.51 -24.18 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.848 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.92 -61.12 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 120.942 0.401 . . . . 0.0 110.799 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' B' ' 98' ' ' GLU . 2.3 m-20 -69.48 -48.39 60.85 Favored 'General case' 0 C--O 1.212 -0.921 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.681 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.823 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 24.0 t70 -60.68 -8.68 3.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.968 0.414 . . . . 0.0 111.722 -176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' B' ' 96' ' ' ARG . 13.0 tpt180 -76.74 -55.14 5.76 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.155 -0.966 . . . . 0.0 109.13 173.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -86.4 -48.67 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.425 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 94' ' ' ASP . 35.3 mm-40 -58.67 -40.56 83.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.935 -177.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.823 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 0.4 OUTLIER -69.66 -52.66 23.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.705 -179.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.6 pt20 -59.87 -33.44 71.83 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.414 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.561 ' O ' HG12 ' B' ' 105' ' ' VAL . 83.3 t80 -70.7 -34.0 71.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.911 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.677 ' CZ ' HD23 ' B' ' 99' ' ' LEU . 11.1 ptt-85 -79.32 -25.18 42.39 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.86 -177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.717 HG23 ' O ' ' B' ' 99' ' ' LEU . 21.5 t -66.22 -43.99 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.73 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.9 pt-20 -65.48 -42.25 92.43 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 177.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.597 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -63.24 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.883 175.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.57 -46.21 91.03 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.192 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -50.54 -41.73 54.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.234 0.54 . . . . 0.0 111.068 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -79.27 -51.56 9.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.593 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.689 HG13 ' HE3' ' B' ' 112' ' ' LYS . 71.9 t -54.95 -48.12 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.555 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.1 m-30 -62.45 -29.21 70.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.23 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 28.9 tptp -67.1 -39.52 86.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.369 177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.689 ' HE3' HG13 ' B' ' 109' ' ' VAL . 3.5 pttp -70.82 -33.5 70.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.984 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 8.6 mm-40 -58.13 -47.39 83.46 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.978 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.417 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 73.1 mt -61.69 -29.32 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.785 0.326 . . . . 0.0 111.752 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 10.5 mt-30 -75.68 -40.5 55.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.438 . . . . 0.0 110.253 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.2 86.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.466 0.65 . . . . 0.0 109.612 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -55.4 -35.92 65.87 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.695 176.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 20.0 t70 -63.3 -31.2 72.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -73.06 -39.23 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.683 0.754 . . . . 0.0 109.851 174.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.777 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -66.36 -27.66 68.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.269 173.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.553 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.62 -33.48 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.912 -0.492 . . . . 0.0 109.846 172.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 38.5 ttm180 -59.77 -46.97 87.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.777 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 7.0 ptmt -64.03 -36.41 83.91 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.296 0.569 . . . . 0.0 109.521 177.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.472 ' O ' HD13 ' B' ' 128' ' ' LEU . 76.7 mt -63.19 -47.05 84.23 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.636 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 49.1 mt-10 -50.88 -32.44 20.48 Favored 'General case' 0 N--CA 1.462 0.152 0 O-C-N 123.402 0.439 . . . . 0.0 111.446 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -60.34 -45.39 93.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.916 0.389 . . . . 0.0 110.127 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 37' ' ' LEU . 4.6 mm? -74.51 -40.81 61.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.731 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 124' ' ' LEU . 11.2 mp -48.5 -60.16 2.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 111.162 170.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.41 -34.56 70.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.453 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.5 t -66.5 -26.67 67.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.706 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 111.87 19.43 7.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.278 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 51.8 tp -84.43 -67.44 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.063 0.431 . . . . 0.0 110.787 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.471 -177.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.776 0.322 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.41 -32.83 66.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.886 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -83.96 -6.49 59.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 -12.1 53.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.656 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.511 HG23 ' HB3' ' A' ' 9' ' ' ASP . 52.4 mt -79.13 103.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -86.03 -176.31 5.91 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 3.4 ttmp? -63.98 -25.44 68.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.793 -0.763 . . . . 0.0 109.367 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -50.26 -60.82 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.456 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.511 ' HB3' HG23 ' A' ' 5' ' ' ILE . 35.1 t70 -74.21 -25.92 59.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.532 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 33.0 tt0 -63.97 -57.15 10.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.741 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 41.7 mt-10 -56.19 -33.47 65.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.93 0.395 . . . . 0.0 110.913 175.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 40.0 ttm180 -59.7 -49.93 75.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.984 175.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' O ' HG13 ' A' ' 17' ' ' VAL . 16.4 t80 -63.79 -46.71 83.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.219 178.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 17' ' ' VAL . 12.1 mt-30 -51.04 -56.83 10.6 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -57.65 -34.41 69.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.0 110.957 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.1 tp -64.23 -44.28 92.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.197 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.3 m -59.5 -37.28 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.795 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.75 -48.23 82.5 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.713 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HD22 ' A' ' 23' ' ' LEU . 25.6 mm-40 -58.25 -38.97 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.414 0.626 . . . . 0.0 110.305 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.56 -42.81 67.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -66.0 -32.24 73.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.795 ' HG3' ' O ' ' A' ' 18' ' ' THR . 50.7 mt-30 -59.97 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 111.04 -176.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -80.53 -19.13 46.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.771 -166.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.21 -29.61 68.49 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.817 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 28' ' ' THR . 6.4 ttt180 -67.4 -43.45 81.27 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 23' ' ' LEU . 38.1 mt -64.76 -35.68 81.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.046 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.461 HG22 ' HG3' ' A' ' 31' ' ' GLU . 88.4 mt -62.8 -54.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.843 173.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.33 -28.23 27.51 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 123.475 0.484 . . . . 0.0 111.474 -177.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 26.0 mm-40 -67.03 -56.42 10.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.499 0.666 . . . . 0.0 110.204 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' B' ' 121' ' ' ILE . 70.9 mmtt -63.43 -40.07 96.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.213 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 2.6 mm-40 -53.3 -58.13 8.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.39 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' THR . 4.7 pt-20 -55.3 -33.53 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.258 -177.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 43.0 mmtm -72.59 -49.92 28.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.093 0.473 . . . . 0.0 110.382 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 ' HB3' ' B' ' 120' ' ' GLU . 48.5 mt -69.33 -32.21 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.103 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 78.6 mtt180 -62.62 -34.94 78.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.081 0.467 . . . . 0.0 110.96 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 32' ' ' GLU . 27.9 t -68.16 -34.23 65.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 175.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.8 mm? -71.26 -28.7 64.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.608 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.5 mtp180 -62.13 -38.8 90.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.7 mm-40 -63.36 -35.77 81.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.626 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.61 -43.61 97.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.118 172.541 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 13.6 mt -69.51 -29.53 67.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.819 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 38' ' ' ARG . 58.7 t -57.95 -46.25 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.893 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 34.6 mt-10 -64.49 -43.73 93.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.311 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -66.52 -28.02 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.406 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.29 41.15 8.09 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.769 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.15 -15.15 62.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.268 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.43 61.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -117.16 -50.91 2.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.531 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.63 -90.36 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.9 m -158.86 97.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -72.4 106.18 4.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.874 0.369 . . . . 0.0 110.229 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.8 mt -79.96 -25.96 40.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.449 0.642 . . . . 0.0 110.291 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.868 176.484 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -84.49 -173.09 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.585 2.19 . . . . 0.0 112.753 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.438 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -46.57 103.76 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.249 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.17 -4.95 27.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.829 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.6 t -77.85 -14.24 59.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -96.93 -71.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.949 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 54.71 49.9 17.0 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.954 0.407 . . . . 0.0 111.673 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 66.45 175.85 0.23 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.955 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 96' ' ' ARG . 8.1 p -62.92 -37.32 78.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.441 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 4.6 p -54.01 -49.67 58.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.888 -176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.725 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 61.3 m-20 -88.56 -33.75 17.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.992 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.748 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.5 t70 -52.49 -30.29 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.878 -0.514 . . . . 0.0 110.995 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.622 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 4.7 mmp_? -78.18 -70.15 0.5 Allowed 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.255 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -52.03 13.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.105 0.479 . . . . 0.0 111.258 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.725 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 5.4 mm-40 -62.96 -47.81 81.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.452 -174.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.748 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 1.5 tm? -64.53 -53.35 49.34 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 -172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 3.3 pt20 -61.65 -38.25 87.04 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.068 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.543 ' O ' HG12 ' B' ' 105' ' ' VAL . 64.6 t80 -74.78 -26.13 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.741 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.629 ' O ' ' HG2' ' B' ' 106' ' ' GLN . 24.3 ptt85 -78.63 -31.65 47.04 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.293 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 99' ' ' LEU . 38.3 t -62.1 -40.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.668 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.652 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.0 pt-20 -65.99 -44.32 85.19 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.543 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -64.85 -40.18 88.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.248 175.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.5 mm-40 -60.41 -43.21 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -50.88 -38.35 49.04 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.238 0.542 . . . . 0.0 110.906 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 -83.68 -53.08 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.309 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 105' ' ' VAL . 70.5 t -56.38 -45.02 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.431 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.567 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 12.8 m-30 -61.77 -36.31 80.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.021 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 59.7 tttm -61.07 -44.03 97.99 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -65.73 -34.05 77.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.905 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.9 mm-40 -58.41 -52.78 64.18 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.327 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -36.23 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.962 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 11.3 mt-30 -64.93 -42.96 94.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.159 0.504 . . . . 0.0 110.282 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.26 79.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.006 175.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 71.6 mt -61.51 -27.49 68.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.644 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.4 t70 -69.64 -34.0 73.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.464 . . . . 0.0 110.763 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -68.49 -36.26 78.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.718 0.77 . . . . 0.0 109.131 173.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -66.09 -28.52 68.89 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.364 172.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.2 mp -56.31 -29.19 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.869 -0.52 . . . . 0.0 110.417 174.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 77.8 ttt180 -62.01 -47.04 86.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.621 173.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.2 ptmm? -60.79 -34.32 74.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.231 0.538 . . . . 0.0 109.758 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 128' ' ' LEU . 86.9 mt -66.07 -66.01 0.6 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.647 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' B' ' 128' ' ' LEU . 37.0 mt-10 -52.09 -37.34 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -66.06 -29.47 69.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.277 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' B' ' 132' ' ' LEU . 0.5 OUTLIER -90.16 -44.42 9.79 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 122.234 -0.291 . . . . 0.0 110.711 176.306 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.619 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.5 mp -45.46 -60.49 2.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.341 0.656 . . . . 0.0 112.429 171.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.81 -23.68 66.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 0.0 111.416 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 28.4 t -76.23 -1.91 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.637 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 106.24 28.89 5.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.264 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.467 ' HB2' HD22 ' B' ' 127' ' ' LEU . 50.0 tp -92.45 -50.29 5.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.238 0.519 . . . . 0.0 111.123 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.463 -175.431 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.59 69.18 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.113 0.482 . . . . 0.0 109.93 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -104.89 -24.16 12.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.66 -38.65 33.19 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.15 134.45 29.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.38 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -93.47 169.99 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.104 -0.639 . . . . 0.0 109.867 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -56.17 -28.1 56.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 15.3 mm-40 -46.01 -65.15 0.59 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.351 173.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 16.3 m-20 -75.16 -28.23 60.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.557 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -61.72 -58.1 9.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.281 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -56.34 -31.38 63.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.974 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 83.0 mtp180 -61.16 -50.52 72.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.393 177.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.602 ' O ' HG13 ' A' ' 17' ' ' VAL . 41.5 t80 -73.87 -52.18 13.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.364 -176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.2 mm-40 -55.11 -56.99 13.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.837 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.1 mmmt -58.74 -27.81 65.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' B' ' 104' ' ' GLU . 7.3 tp -72.22 -49.48 34.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.861 0.362 . . . . 0.0 110.68 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -63.22 -29.65 47.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.634 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.8 m -63.74 -47.94 79.01 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.524 -1.217 . . . . 0.0 110.772 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.8 mt-10 -55.07 -43.87 74.3 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.004 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 77.5 m-20 -56.87 -45.11 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.312 177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.6 mm-40 -58.67 -41.57 86.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.111 0.481 . . . . 0.0 111.288 177.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.634 ' HG3' ' O ' ' A' ' 18' ' ' THR . 32.1 mt-30 -69.75 -57.07 5.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.519 -175.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -78.02 -20.36 52.63 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.597 -0.441 . . . . 0.0 112.189 -169.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.3 pt20 -66.03 -32.44 73.91 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 173.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 22' ' ' GLN . 4.8 ttm180 -70.41 -44.76 67.28 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.716 175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' GLN . 84.6 mt -61.0 -36.54 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.096 -177.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.7 mt -59.06 -52.1 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.67 171.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -56.27 -39.81 73.22 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.611 -179.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -67.47 -44.46 78.53 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.289 0.566 . . . . 0.0 110.41 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -70.13 -47.45 61.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.433 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.61 -56.95 10.65 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 28' ' ' THR . 10.6 pt-20 -67.22 -28.81 68.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.536 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -72.23 -41.01 67.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.045 0.45 . . . . 0.0 110.187 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG12 ' HB3' ' B' ' 120' ' ' GLU . 62.6 mt -64.29 -33.82 65.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.819 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 38.1 ttt180 -56.81 -37.02 70.59 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.132 0.491 . . . . 0.0 110.901 176.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG12 ' NH1' ' A' ' 40' ' ' ARG . 3.3 t -73.66 -27.24 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.354 0.597 . . . . 0.0 110.098 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -75.1 -30.39 60.88 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.425 0.631 . . . . 0.0 110.016 173.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.9 ttt180 -66.59 -23.81 66.24 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.058 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.589 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 11.3 mm100 -72.69 -37.7 67.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.428 171.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' NH1' HG12 ' A' ' 36' ' ' VAL . 6.6 mpt_? -64.02 -39.2 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.334 0.588 . . . . 0.0 109.606 173.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 26.9 mt -63.89 -25.58 68.22 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.336 177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 51.0 t -57.89 -46.31 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.682 0.277 . . . . 0.0 110.413 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.54 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.963 0.411 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -78.77 -32.83 46.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.98 33.52 0.84 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 113.677 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.32 -5.1 56.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.391 0.615 . . . . 0.0 110.184 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 42' ' ' VAL . . . -75.31 12.78 0.86 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.061 -176.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 26.4 mmtm -62.47 -30.67 71.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.59 0.233 . . . . 0.0 111.474 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.67 -34.32 88.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.177 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -148.85 88.96 1.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -82.13 98.87 8.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.273 0.559 . . . . 0.0 110.91 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 69.0 mt -103.31 12.19 35.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.85 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 52' ' ' LEU . 9.5 t30 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 123.391 0.676 . . . . 0.0 111.657 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -85.05 -171.3 0.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.797 2.331 . . . . 0.0 112.449 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -51.69 140.87 17.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.736 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . 0.575 ' H ' HG11 ' B' ' 93' ' ' VAL . . . -89.06 -72.33 1.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.178 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 18.6 m -111.78 -54.56 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.82 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 5.3 tpm_? -102.87 -73.29 0.67 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.749 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 89' ' ' ARG . 72.5 ttt180 176.11 -80.69 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.498 0.499 . . . . 0.0 110.676 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -78.3 -41.83 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.549 -175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.18 -47.8 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.136 0.493 . . . . 0.0 111.033 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.575 HG11 ' H ' ' B' ' 87' ' ' GLY . 10.4 p -73.77 -19.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.702 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 0.2 OUTLIER -71.92 -58.37 3.51 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.81 -179.156 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.38 -16.26 53.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.603 0.716 . . . . 0.0 109.951 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -75.64 -58.72 3.11 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.269 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.9 tmm_? -76.52 -51.4 11.78 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.059 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.5 mm-40 -58.69 -42.51 88.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.666 0.786 . . . . 0.0 112.745 -174.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 1.5 tm? -65.47 -55.79 15.99 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.31 -178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 11.9 pt20 -64.86 -26.38 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.292 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.664 ' O ' HG12 ' B' ' 105' ' ' VAL . 24.6 t80 -54.91 -47.0 74.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.105 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.653 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 6.1 ptp180 -68.9 -22.69 64.16 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.216 0.532 . . . . 0.0 110.347 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 99' ' ' LEU . 3.8 t -77.02 -41.82 31.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.077 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.5 pt-20 -74.82 -26.74 59.93 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -64.41 -38.11 81.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 119.123 -1.031 . . . . 0.0 108.957 171.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -60.15 -44.06 95.28 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.488 HD22 ' HB3' ' A' ' 19' ' ' GLU . 11.1 t-20 -58.34 -40.84 83.21 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.279 0.561 . . . . 0.0 111.241 175.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -72.07 -48.54 43.4 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 105' ' ' VAL . 72.3 t -59.2 -54.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.622 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.453 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.6 m-85 -63.2 -28.19 69.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.82 0.343 . . . . 0.0 110.828 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 3.9 ttpm? -72.27 -39.25 68.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -58.24 -36.81 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.476 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 5.1 mm-40 -58.82 -53.1 62.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.556 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.89 -33.45 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.132 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 12.7 mt-30 -66.68 -39.91 88.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.169 0.509 . . . . 0.0 110.36 177.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.06 -46.51 87.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.582 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 33.5 mt -64.24 -27.09 68.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.51 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 12.5 t70 -62.4 -32.68 73.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -64.82 -38.38 90.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.925 0.869 . . . . 0.0 109.684 174.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.735 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -71.97 -28.14 63.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.697 174.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -56.31 -31.27 32.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 121.723 -0.611 . . . . 0.0 109.923 172.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 39.0 ttm180 -56.98 -47.29 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.313 173.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.735 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.1 ptmt -66.53 -36.72 83.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.118 0.485 . . . . 0.0 110.369 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.8 mt -64.12 -52.62 58.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.713 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.8 mt-10 -63.25 -38.23 90.35 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' B' ' 123' ' ' LYS . 18.6 ptt180 -70.71 -18.22 62.81 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.651 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.5 -36.75 18.82 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 79.0 mt -55.14 -55.44 31.13 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.266 174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.21 -10.25 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.497 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -93.38 1.53 56.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.15 23.24 4.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.739 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.572 ' HB3' ' HA ' ' B' ' 128' ' ' LEU . 1.0 OUTLIER -93.6 -48.2 6.46 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 174.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.838 176.33 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -143.19 -177.5 5.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 m -61.87 -48.84 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.611 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -51.01 6.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.0 mt -68.36 105.99 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.328 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -90.2 -169.6 2.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.617 ' HA ' ' HB3' ' A' ' 10' ' ' GLU . 24.1 ttmm -64.4 -19.56 65.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.64 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -50.06 -64.59 0.76 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.391 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.49 -21.54 38.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.378 0.609 . . . . 0.0 110.071 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 32.8 tt0 -57.78 -61.52 2.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.96 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -59.53 -28.78 67.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.118 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -64.9 -45.66 84.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 17' ' ' VAL . 18.6 t80 -62.15 -43.95 97.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 174.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.596 ' O ' HG22 ' A' ' 17' ' ' VAL . 86.1 mm-40 -53.98 -53.39 53.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.289 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB ' ' A' ' 18' ' ' THR . 14.1 mmmm -58.3 -33.46 69.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.501 175.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.0 tp -66.06 -47.11 75.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.678 0.275 . . . . 0.0 110.758 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.4 m -64.46 -33.0 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 176.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.789 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.6 m -59.19 -53.62 56.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.757 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.1 mt-10 -52.09 -34.62 44.71 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.854 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.622 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.4 m-80 -77.84 -54.75 5.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.384 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.5 mm-40 -55.99 -30.22 61.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.121 -0.362 . . . . 0.0 111.575 -176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.789 ' HG3' ' O ' ' A' ' 18' ' ' THR . 62.6 mt-30 -60.64 -65.14 0.74 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.141 0.496 . . . . 0.0 110.588 177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' ASN . 1.0 OUTLIER -76.64 -18.55 58.52 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.081 -172.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 53.8 mt-30 -51.87 -47.34 64.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.504 0.669 . . . . 0.0 110.241 167.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 3.4 ttm180 -67.83 -45.9 73.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.18 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 23' ' ' LEU . 65.8 mt -59.29 -31.86 69.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.789 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 77.7 mt -69.15 -56.67 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.643 173.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.634 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -52.22 -36.32 51.91 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.762 0.664 . . . . 0.0 111.507 -175.323 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 20.3 mm-40 -58.5 -54.29 48.7 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.626 0.726 . . . . 0.0 110.639 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD2' HD11 ' B' ' 121' ' ' ILE . 28.3 mmtp -71.14 -37.87 72.27 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.599 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 18.8 mm-40 -51.47 -62.27 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.502 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.6 pt-20 -55.01 -38.86 68.44 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.416 0.448 . . . . 0.0 111.688 -175.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.84 -43.39 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 120' ' ' GLU . 52.4 mt -65.31 -29.34 46.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 110.907 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mtt180 -62.4 -35.41 79.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.267 0.556 . . . . 0.0 110.401 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 32' ' ' GLU . 17.1 t -70.7 -34.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.778 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -71.66 -27.51 63.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.784 176.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 42' ' ' VAL . 83.2 mtp180 -62.46 -36.05 81.23 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.541 174.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 11.7 mm100 -62.84 -36.57 83.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -64.72 -39.92 94.47 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 173.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.1 mt -66.65 -34.03 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.896 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 38' ' ' ARG . 79.1 t -54.34 -44.79 67.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.436 0.636 . . . . 0.0 109.712 171.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 39' ' ' GLN . 37.2 mt-10 -70.46 -12.46 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 13.7 mtm180 -104.18 -26.98 12.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.124 0.488 . . . . 0.0 110.995 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.505 ' HA3' ' HG2' ' A' ' 51' ' ' GLU . . . 76.46 35.39 41.99 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -172.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 22.6 t70 -62.52 -28.99 70.23 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.847 0.459 . . . . 0.0 112.038 -169.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.3 -23.05 54.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.711 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -109.23 -50.45 3.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.13 -56.93 0.57 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -153.59 120.18 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' HG2' ' HA3' ' A' ' 45' ' ' GLY . 12.8 mm-40 -73.48 111.8 8.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.936 0.398 . . . . 0.0 110.793 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.8 mt -98.12 -24.11 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.588 -179.747 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -89.26 -172.5 0.66 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.798 2.332 . . . . 0.0 111.82 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -51.28 151.39 2.91 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.192 0.52 . . . . 0.0 111.483 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.15 10.43 63.44 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.484 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 12.0 m -85.3 11.85 9.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.885 0.374 . . . . 0.0 110.983 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -69.72 -19.68 63.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.95 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.401 ' HB3' ' HB ' ' B' ' 93' ' ' VAL . 91.3 mtt180 -84.6 73.14 10.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.703 ' O ' ' HB3' ' B' ' 95' ' ' ASP . 76.7 m-85 -53.65 -51.97 61.46 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.95 -1.023 . . . . 0.0 113.201 -170.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.3 p -80.59 -33.38 13.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.76 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' B' ' 90' ' ' ARG . 48.5 t -62.08 -64.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.492 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 22.3 m-20 -90.05 -41.87 11.45 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.148 -172.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 8.0 t70 -56.57 -24.58 48.25 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.328 -0.857 . . . . 0.0 111.277 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -82.37 -70.44 0.55 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.882 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 97' ' ' ARG . 23.6 mtp180 -65.32 -50.42 65.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.938 0.875 . . . . 0.0 110.944 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.612 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.7 mm-40 -80.36 -39.78 27.84 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.132 -1.395 . . . . 0.0 113.075 -167.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.781 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.7 tm? -65.92 -48.47 71.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.608 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -62.41 -30.67 71.38 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.388 0.613 . . . . 0.0 109.898 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.523 ' O ' HG12 ' B' ' 105' ' ' VAL . 77.9 t80 -66.32 -38.68 88.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.734 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.588 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 7.3 ptp180 -80.68 -22.16 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.664 -0.415 . . . . 0.0 111.313 -177.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.781 HG23 ' O ' ' B' ' 99' ' ' LEU . 10.6 t -69.43 -43.41 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.406 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.639 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -62.55 -44.39 96.45 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 175.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.2 OUTLIER -62.71 -42.5 96.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.252 175.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.6 mm-40 -61.16 -37.51 83.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.003 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.553 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.3 t-20 -51.6 -44.59 62.9 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.279 0.561 . . . . 0.0 110.708 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.61 -48.24 17.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.578 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 97.5 t -60.1 -47.23 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.06 -177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.512 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.3 m-85 -61.19 -32.23 71.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 ttmp? -69.0 -37.37 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.184 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 8.3 mtpm? -62.52 -40.59 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.461 176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -59.14 -46.77 87.5 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.638 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -58.2 -34.09 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.015 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 13.9 mt-30 -67.04 -43.7 82.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.209 0.528 . . . . 0.0 110.012 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.45 78.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.306 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 90.2 mt -61.09 -30.98 70.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.53 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 18.6 t70 -61.14 -33.99 74.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.612 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.02 -41.75 86.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.855 0.836 . . . . 0.0 109.377 175.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.813 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -64.78 -27.95 69.24 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.929 175.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.56 HD11 ' HD2' ' A' ' 30' ' ' LYS . 1.4 mp -56.34 -32.42 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 122.059 -0.401 . . . . 0.0 110.17 174.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 42.3 ttm180 -60.33 -42.2 95.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.535 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.813 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -67.73 -37.59 82.4 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 177.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.59 ' O ' HD13 ' B' ' 128' ' ' LEU . 80.7 mt -60.35 -52.37 65.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.387 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 40.2 mt-10 -54.52 -26.61 32.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.799 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -57.36 -53.51 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.79 -49.1 76.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.59 HD13 ' O ' ' B' ' 124' ' ' LEU . 10.0 mp -46.7 -64.21 0.82 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.058 0.543 . . . . 0.0 112.105 174.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.36 -36.0 74.92 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 67.8 m -67.7 -19.43 65.16 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 113.15 -19.1 20.72 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.69 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -54.4 38.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.038 179.512 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.006 0.432 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -83.03 -13.31 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.146 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -69.39 -33.52 73.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.115 0.483 . . . . 0.0 110.558 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 -57.08 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.272 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.419 HG23 ' HB3' ' A' ' 9' ' ' ASP . 54.2 mt -81.15 108.02 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.153 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -86.78 177.37 7.33 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 33.3 mtmt -63.38 -14.86 54.67 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 10.5 tp10 -56.57 -61.08 2.66 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.928 173.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' HB3' HG23 ' A' ' 5' ' ' ILE . 20.5 t0 -77.46 -44.56 28.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.154 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.01 -63.58 1.25 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.459 -173.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 29.8 mm-40 -55.46 -32.82 63.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 5.2 mmp_? -68.28 -39.01 82.25 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' O ' HG13 ' A' ' 17' ' ' VAL . 17.2 t80 -76.61 -46.01 27.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.592 177.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.0 mm100 -54.08 -55.53 26.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.378 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 62.4 mmtt -60.12 -26.82 66.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.486 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' B' ' 104' ' ' GLU . 14.6 tp -69.51 -47.71 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.2 m -63.63 -33.08 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.765 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 3.3 m -59.69 -54.89 41.14 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.69 176.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.662 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.7 mt-10 -52.84 -45.32 67.29 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.213 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -61.25 -45.72 93.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.803 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.1 mm-40 -66.68 -44.55 81.49 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.765 ' HG3' ' O ' ' A' ' 18' ' ' THR . 38.7 mt-30 -59.08 -55.85 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.153 0.501 . . . . 0.0 111.755 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.1 pt? -79.03 -22.18 45.8 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -165.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 27' ' ' ILE . 11.5 pt20 -70.82 -28.18 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.691 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 28' ' ' THR . 4.8 ttm180 -69.83 -42.95 72.93 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.151 174.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 23' ' ' LEU . 81.6 mt -63.02 -35.97 82.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.237 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -61.09 -57.31 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.265 172.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.63 -36.22 61.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.715 -175.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -66.47 -59.09 3.98 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 111.108 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -55.18 -49.88 70.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 5.8 mm-40 -50.57 -55.57 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.7 pt-20 -63.35 -34.64 78.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 -175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -74.88 -36.08 62.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.563 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' HB3' ' B' ' 120' ' ' GLU . 55.5 mt -65.67 -31.68 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 54.5 mtm180 -57.71 -43.26 85.08 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.173 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.6 t -66.9 -39.72 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.477 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.807 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.3 mm? -57.16 -42.01 80.29 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.322 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.7 mtp180 -57.55 -46.03 84.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.965 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 10.8 mm100 -61.17 -40.46 93.97 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.65 177.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -64.91 -40.94 95.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.452 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 45.5 mt -65.47 -27.58 68.59 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.849 176.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' ARG . 74.1 t -57.12 -43.91 82.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.613 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.16 -24.9 63.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -89.14 -30.4 18.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.449 0.642 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.26 83.57 1.74 Allowed Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.111 -175.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -18.94 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.009 0.433 . . . . 0.0 110.848 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.76 -16.46 63.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.607 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 11.4 mmpt? -71.49 -19.1 62.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.664 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.51 148.71 24.57 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.726 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 m -147.42 89.21 1.76 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.028 0.442 . . . . 0.0 110.913 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -116.11 107.31 14.75 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.3 mt -115.33 51.4 0.93 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.834 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.242 178.695 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.91 -0.076 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.75 -171.53 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.041 2.494 . . . . 0.0 112.308 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.717 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -54.68 99.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.43 0.633 . . . . 0.0 112.215 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.8 -21.13 79.05 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.024 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -76.61 -6.71 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -80.55 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.939 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -134.47 7.42 3.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 64.7 152.02 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.212 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 28.6 t -64.7 -17.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.545 0.688 . . . . 0.0 110.041 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.54 -44.14 94.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.395 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.665 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 18.1 t70 -74.08 -46.1 45.16 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.929 -174.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.9 p30 -65.27 -27.53 68.71 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 28.8 ttm180 -89.92 -71.9 0.59 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.786 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 4.1 tmt_? -69.98 -40.74 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.935 -173.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.665 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 23.1 mm-40 -80.48 -35.46 34.76 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.771 -173.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 3.1 tm? -71.94 -45.99 59.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.588 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 17.6 pt20 -62.96 -28.84 70.35 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.609 ' O ' HG12 ' B' ' 105' ' ' VAL . 59.9 t80 -53.88 -40.89 66.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.312 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 18.2 ptp180 -82.89 -22.66 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.11 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 99' ' ' LEU . 15.9 t -73.21 -43.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 100' ' ' GLN . 2.3 pt-20 -63.99 -40.1 95.62 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.609 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -62.52 -43.24 98.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.421 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.673 175.18 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 24.6 mm-40 -59.71 -44.9 93.51 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -53.41 -45.34 69.33 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.255 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 108' ' ' ARG . 57.9 mtt180 -73.51 -48.75 30.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.959 0.409 . . . . 0.0 111.495 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.557 HG23 ' O ' ' B' ' 105' ' ' VAL . 92.4 t -57.91 -48.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.233 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.536 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.5 m-30 -62.89 -27.13 69.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.102 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 41.8 mttp -65.77 -43.88 87.5 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.767 0.318 . . . . 0.0 110.525 174.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' B' ' 109' ' ' VAL . 0.0 OUTLIER -65.44 -32.79 74.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.802 -178.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 109' ' ' VAL . 5.6 mm-40 -59.02 -52.32 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.663 173.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 117' ' ' LEU . 79.5 mt -60.36 -36.66 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.119 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 14.3 mt-30 -63.75 -44.43 93.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.054 0.454 . . . . 0.0 110.389 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.98 95.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.386 0.612 . . . . 0.0 109.888 174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.0 -30.77 66.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.053 175.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.5 -29.53 70.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.441 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.93 -40.33 83.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.705 0.764 . . . . 0.0 109.67 173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.794 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.5 OUTLIER -70.87 -27.6 63.94 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.599 175.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.654 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -53.56 -35.05 24.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 121.853 -0.529 . . . . 0.0 110.447 172.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' B' ' 125' ' ' GLU . 26.2 mmm180 -63.33 -41.43 98.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.934 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.794 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 4.5 ptmt -66.43 -38.8 88.22 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 128' ' ' LEU . 83.4 mt -60.44 -49.17 78.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.688 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.3 mt-10 -55.24 -32.76 62.56 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.189 0.306 . . . . 0.0 111.64 -176.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -69.18 -26.31 64.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.048 0.451 . . . . 0.0 111.04 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -40.99 22.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.827 176.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 124' ' ' LEU . 10.1 mp -48.98 -59.31 3.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 166.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 125' ' ' GLU . 44.8 mt-10 -57.33 -34.86 69.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -64.95 -19.29 65.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 93.03 13.97 55.48 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.728 177.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.72 -50.2 5.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.164 0.507 . . . . 0.0 110.01 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.505 ' OXT' ' HA ' ' B' ' 128' ' ' LEU . 25.9 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.247 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.71 0.29 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 2.5 p30 -139.1 121.91 16.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.192 0.52 . . . . 0.0 110.492 178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -111.64 -46.53 3.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.717 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.0 -40.0 14.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 109.885 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' ASP . 57.2 mt -80.72 147.02 6.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.207 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -103.5 176.04 5.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 3.6 ttmp? -64.07 -23.38 67.31 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.24 -49.99 16.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.138 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 17.7 t70 -66.94 -41.59 86.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.185 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -66.84 -56.15 11.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.095 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 10.7 mm-40 -56.37 -29.57 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.607 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 16.7 tpt180 -54.9 -54.93 36.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.51 174.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 23.3 t80 -78.54 -51.02 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.462 -178.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' VAL . 28.5 mm-40 -55.32 -56.01 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.998 0.428 . . . . 0.0 111.65 -174.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.0 mmmt -63.66 -25.49 68.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.6 tp -66.77 -45.69 77.7 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -62.55 -33.34 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.742 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.6 m -64.87 -52.18 57.97 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.992 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.708 ' O ' HD22 ' A' ' 23' ' ' LEU . 47.2 mt-10 -53.22 -44.83 68.36 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.786 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 50.1 t30 -60.57 -48.4 81.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.046 -176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -73.22 -39.58 65.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.742 ' HG3' ' O ' ' A' ' 18' ' ' THR . 42.5 mt-30 -55.25 -57.01 13.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.161 0.505 . . . . 0.0 111.442 -176.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -74.46 -19.04 60.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.55 -169.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.786 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 78.6 mt-30 -52.84 -45.56 67.4 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.499 0.666 . . . . 0.0 110.043 169.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 3.7 ttm180 -67.87 -44.6 76.71 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.245 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 61.1 mt -61.45 -36.1 79.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.833 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 23' ' ' LEU . 96.3 mt -61.45 -52.85 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.282 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.585 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -57.16 -31.27 65.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.705 -175.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 53.1 mt-30 -62.76 -48.29 79.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.448 1.118 . . . . 0.0 110.336 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HD2' HD11 ' B' ' 121' ' ' ILE . 25.6 mmtp -78.76 -42.44 28.02 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.023 -1.444 . . . . 0.0 110.842 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 27.9 mm-40 -46.46 -59.12 3.17 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.384 0.428 . . . . 0.0 111.995 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 28' ' ' THR . 2.9 pt-20 -52.1 -45.89 65.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.726 0.298 . . . . 0.0 111.39 -177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.63 -42.1 68.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.484 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.583 HG12 ' HB3' ' B' ' 120' ' ' GLU . 67.4 mt -66.57 -32.86 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.376 0.131 . . . . 0.0 111.164 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 33.7 mmt180 -60.88 -34.62 74.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.291 0.567 . . . . 0.0 110.694 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.3 t -72.87 -42.42 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.663 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.0 mm? -60.39 -31.81 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.652 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 42' ' ' VAL . 25.4 ttt180 -68.42 -36.79 79.58 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.786 -176.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.662 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -79.61 -26.96 41.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.588 0.708 . . . . 0.0 109.238 176.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 33.4 mtp85 -66.55 -42.32 87.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.354 174.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 56.3 mt -59.03 -31.23 68.65 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.212 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 69.4 t -54.46 -47.08 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.341 176.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.76 -21.89 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.086 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -90.11 -28.47 18.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.83 46.22 14.63 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -172.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 12.1 t70 -69.99 -20.78 63.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.094 0.473 . . . . 0.0 110.426 -174.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.8 -4.52 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.644 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 71.3 mmtt -66.35 -18.04 65.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.203 176.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.44 98.65 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.692 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.0 m -152.93 89.27 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 110.084 174.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.9 137.05 52.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -122.97 -138.35 0.31 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -175.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 120.992 0.425 . . . . 0.0 110.604 -175.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -86.55 -171.95 0.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.966 2.444 . . . . 0.0 112.56 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.858 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.07 115.15 1.0 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.703 0.763 . . . . 0.0 112.448 178.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.42 -73.4 0.73 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.997 176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -114.35 -40.58 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 111.634 176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -76.66 -30.85 56.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.018 0.437 . . . . 0.0 111.236 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' B' ' 94' ' ' ASP . 77.4 mtt-85 52.06 30.09 7.1 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.894 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 50.8 t80 44.04 -102.36 0.05 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 124.202 0.939 . . . . 0.0 112.154 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 9.9 p -91.1 -21.27 6.57 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.126 -172.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.22 -53.67 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.0 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' B' ' 90' ' ' ARG . 1.1 t70 -71.4 -52.62 17.63 Favored 'General case' 0 C--O 1.218 -0.556 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.848 -178.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.68 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 11.4 t70 -63.42 -12.11 28.37 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.148 0.499 . . . . 0.0 111.22 -173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' B' ' 92' ' ' VAL . 74.4 ttt180 -82.3 -61.1 1.99 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' B' ' 101' ' ' TYR . 3.3 tmt_? -69.03 -53.09 22.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.55 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.484 ' HG3' ' OD1' ' B' ' 94' ' ' ASP . 76.2 mm-40 -64.03 -48.9 74.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.687 -172.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.68 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.1 tm? -69.19 -46.8 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 26.8 pt20 -63.26 -31.95 73.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.337 0.589 . . . . 0.0 109.911 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.631 ' O ' HG12 ' B' ' 105' ' ' VAL . 25.5 t80 -63.61 -37.05 85.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.255 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 8.9 ptm180 -78.74 -21.51 47.88 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.053 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 99' ' ' LEU . 8.8 t -75.17 -41.72 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.7 pt-20 -64.97 -41.06 95.77 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.1 OUTLIER -61.1 -39.54 82.72 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.828 175.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.6 mm-40 -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.348 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 16.0 t-20 -53.88 -48.55 69.97 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.868 0.366 . . . . 0.0 110.698 173.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.5 -56.14 23.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.573 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 105' ' ' VAL . 84.8 t -56.26 -48.56 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.058 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.507 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 17.7 m-85 -68.0 -32.74 73.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.077 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 56.8 tptt -65.43 -42.44 92.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -58.18 -36.16 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.731 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -63.13 -48.93 76.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.949 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.4 mt -61.0 -37.7 77.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 32.3 mt-30 -65.53 -44.73 86.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 0.0 110.135 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.11 97.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.057 174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 114' ' ' ILE . 0.7 OUTLIER -60.56 -33.11 72.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.291 177.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.466 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 21.1 t70 -64.5 -31.98 73.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.933 0.396 . . . . 0.0 110.934 -175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.14 88.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.774 0.797 . . . . 0.0 109.447 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.697 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.3 OUTLIER -65.02 -28.5 69.54 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.003 175.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -54.79 -31.56 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 O-C-N 122.155 -0.341 . . . . 0.0 110.203 173.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.428 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 33.9 ttm180 -66.07 -41.16 91.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.852 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 3.8 ptmt -67.38 -36.11 80.68 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.345 0.593 . . . . 0.0 109.523 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 34' ' ' ILE . 61.9 mt -63.78 -51.9 62.73 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.886 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.2 mt-10 -55.5 -29.6 59.12 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 123.259 0.35 . . . . 0.0 111.394 -177.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' B' ' 126' ' ' ARG . 2.7 mmp_? -55.89 -47.67 77.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.001 0.429 . . . . 0.0 110.028 173.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.468 HD22 HD21 ' A' ' 37' ' ' LEU . 11.0 mp -70.38 -44.86 67.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.485 177.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.7 mp -47.48 -57.46 5.34 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-O 120.645 0.26 . . . . 0.0 111.403 172.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.14 -26.68 64.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.743 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 t -78.94 -14.44 59.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.726 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.53 25.57 4.57 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.492 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 29.8 tp -74.42 -44.64 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.098 0.449 . . . . 0.0 111.573 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.519 -176.481 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.578 0.227 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -103.56 50.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 111.744 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -89.17 -50.76 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.57 -39.19 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.559 0.695 . . . . 0.0 109.205 173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.73 142.1 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.04 -0.982 . . . . 0.0 108.931 172.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -96.53 168.36 10.59 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 4.8 ttmp? -58.7 -24.33 61.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 172.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 14.4 tp10 -49.1 -56.94 7.55 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.61 176.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.88 -37.0 86.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.686 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.32 -54.84 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.971 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 29.6 mm-40 -53.36 -36.14 61.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.209 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 29.4 mmt180 -61.98 -36.9 82.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.472 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' O ' HG13 ' A' ' 17' ' ' VAL . 24.9 t80 -78.97 -48.86 13.72 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.5 mm100 -53.72 -55.9 22.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 60.6 mmtt -57.37 -31.82 66.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' B' ' 104' ' ' GLU . 10.1 tp -67.92 -48.04 67.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.778 0.323 . . . . 0.0 110.74 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -64.45 -30.45 50.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.657 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -62.33 -52.93 61.68 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.755 175.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.0 mt-10 -53.27 -37.56 62.26 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.279 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.808 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -60.72 -61.69 2.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.826 176.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.36 -34.79 72.82 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.657 ' HG3' ' O ' ' A' ' 18' ' ' THR . 95.8 mt-30 -57.55 -61.1 2.74 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.306 0.574 . . . . 0.0 111.518 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -80.13 -19.15 47.96 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.978 -168.027 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.808 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 12.7 mt-30 -55.09 -44.64 75.06 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 168.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.2 ttt180 -67.16 -46.75 73.07 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.069 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -58.06 -37.57 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.33 -176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 23' ' ' LEU . 97.8 mt -60.35 -56.5 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.959 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -53.98 -40.14 66.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.503 -178.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 76.5 mm-40 -61.2 -54.57 42.59 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.476 0.655 . . . . 0.0 110.806 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -69.17 -38.52 78.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.745 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.78 -52.84 63.79 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 28' ' ' THR . 11.6 pt-20 -67.19 -27.46 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.777 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' HD22 ' B' ' 124' ' ' LEU . 21.9 tptm -74.58 -47.6 31.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.152 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 25.7 mt -64.21 -33.04 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.549 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.96 -40.93 67.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.4 t -71.61 -41.37 71.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.512 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.801 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.5 mm? -54.22 -42.61 70.01 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.269 175.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.9 mtp180 -52.49 -53.48 45.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.65 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -58.64 -41.55 86.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.071 0.462 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.68 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.801 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.3 mt -66.21 -34.28 77.67 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.88 177.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -51.36 -49.06 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.644 0.259 . . . . 0.0 111.69 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.04 -36.09 81.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.978 0.418 . . . . 0.0 110.58 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 44' ' ' ARG . 66.0 mtt-85 -70.93 -40.87 71.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.05 78.55 0.58 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -170.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.81 -26.95 66.19 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -171.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -28.86 70.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.87 0.367 . . . . 0.0 111.347 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 41.1 tptt -104.94 2.59 29.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.129 0.49 . . . . 0.0 110.213 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.77 111.31 2.65 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.961 -176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 m -112.96 89.2 3.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 109.835 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.68 133.31 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.743 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.3 mt -125.43 -10.0 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.269 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 121.102 0.477 . . . . 0.0 110.649 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.12 -172.24 1.39 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.988 2.459 . . . . 0.0 112.724 -176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 86' ' ' LEU . 0.4 OUTLIER -40.06 138.13 0.88 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.986 0.804 . . . . 0.0 112.974 178.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.74 -70.09 1.02 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.902 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -110.12 -53.6 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.359 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' B' ' 90' ' ' ARG . 3.4 tpm_? -103.92 -73.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.829 172.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.534 ' O ' HG22 ' B' ' 93' ' ' VAL . 79.1 ttt180 174.98 -59.47 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -58.13 -32.23 67.94 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -167.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.61 -41.92 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 111.676 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 90' ' ' ARG . 18.5 m -80.25 -21.72 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.365 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 6.5 m-20 -68.22 -57.71 5.58 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.254 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 2.4 p30 -64.84 -10.7 30.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.025 0.441 . . . . 0.0 110.548 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -81.65 -68.06 0.73 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' B' ' 98' ' ' GLU . 3.3 tmm_? -66.68 -33.98 76.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.798 -174.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 8.1 mm-40 -75.81 -44.45 41.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.865 0.364 . . . . 0.0 111.677 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' B' ' 102' ' ' ARG . 2.4 tm? -72.65 -43.07 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.533 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 11.5 pt20 -63.75 -30.07 71.21 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.681 ' O ' HG12 ' B' ' 105' ' ' VAL . 63.7 t80 -59.3 -44.36 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.95 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' B' ' 99' ' ' LEU . 0.0 OUTLIER -69.67 -21.64 63.51 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.502 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 99' ' ' LEU . 9.6 t -76.05 -44.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.596 ' HA ' HD11 ' A' ' 16' ' ' LEU . 5.8 pt-20 -69.9 -31.2 68.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.681 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -65.92 -42.61 92.26 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.428 172.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 27.0 mm-40 -57.72 -41.09 81.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.163 174.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.17 -39.42 86.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.184 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -80.08 -48.15 13.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.551 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.546 ' HA ' ' HD3' ' B' ' 112' ' ' LYS . 69.0 t -54.1 -53.02 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.532 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 24' ' ' GLN . 1.9 m-85 -64.6 -26.19 68.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.568 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.6 tmtp? -70.99 -41.82 70.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 5.8 mtpm? -59.55 -38.02 79.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.07 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 9.0 mm-40 -56.01 -50.62 70.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.009 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.05 -29.32 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.23 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.2 mt-30 -71.65 -40.28 69.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.198 0.523 . . . . 0.0 110.057 177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -48.34 82.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.462 171.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 43.8 mt -62.68 -27.11 69.02 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.493 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 30.9 t70 -62.39 -32.86 73.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.285 -176.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.46 94.28 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.98 0.895 . . . . 0.0 109.698 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.787 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.5 mp0 -69.08 -28.38 66.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.472 175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.493 ' HB ' ' HA ' ' B' ' 118' ' ' ASP . 1.3 mp -57.3 -30.43 35.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 O-C-N 121.986 -0.446 . . . . 0.0 110.218 174.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.64 -39.49 94.48 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.494 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.787 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.45 -32.14 73.33 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.156 0.503 . . . . 0.0 109.931 175.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.667 ' O ' HD13 ' B' ' 128' ' ' LEU . 89.6 mt -68.11 -50.11 56.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.217 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 54.8 mt-10 -60.23 -33.61 72.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -177.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.675 ' O ' ' HB3' ' B' ' 130' ' ' SER . 10.0 ptm180 -70.5 -18.41 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.162 0.506 . . . . 0.0 110.164 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' B' ' 132' ' ' LEU . 0.1 OUTLIER -82.1 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 171.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.667 HD13 ' O ' ' B' ' 124' ' ' LEU . 7.4 mp -44.07 -65.51 0.5 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.06 0.944 . . . . 0.0 112.769 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.76 -36.65 21.6 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.675 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 33.2 t -95.01 -10.01 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.247 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.98 28.72 73.9 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.654 177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.49 ' HB3' HD22 ' B' ' 127' ' ' LEU . 30.1 tp -50.18 -44.51 52.94 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.008 0.523 . . . . 0.0 111.552 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.139 179.287 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtm . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.612 0.244 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -110.71 -68.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.094 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -80.52 -4.91 55.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.062 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.81 -21.29 55.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.661 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -81.17 108.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.263 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -89.93 -169.84 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.215 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -72.29 -13.46 61.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.138 0.494 . . . . 0.0 109.829 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.28 -55.69 30.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.983 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -39.13 93.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.469 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 35.2 tt0 -59.54 -62.87 1.55 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.429 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.99 -27.39 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.764 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.66 -43.96 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.98 0.419 . . . . 0.0 110.082 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' O ' HG13 ' A' ' 17' ' ' VAL . 38.2 t80 -78.09 -47.09 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.583 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.5 mm100 -52.36 -55.59 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.597 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.5 mmtp -57.42 -34.32 68.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.621 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD11 ' HA ' ' B' ' 104' ' ' GLU . 13.6 tp -67.9 -45.68 73.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.6 m -65.58 -33.36 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.76 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -47.4 85.88 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.266 177.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 20.7 mm-40 -57.06 -44.74 83.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.522 HD22 HG13 ' B' ' 103' ' ' VAL . 21.1 t-20 -59.27 -47.0 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 29.4 mm-40 -65.17 -35.96 82.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 18' ' ' THR . 76.1 mt-30 -60.09 -63.51 1.28 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 111.088 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -79.71 -19.25 49.31 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.247 -165.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.7 pt20 -64.41 -34.06 77.3 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.445 0.641 . . . . 0.0 109.279 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.599 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.1 ttt180 -69.91 -47.16 63.57 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.423 175.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 23' ' ' LEU . 67.5 mt -58.89 -38.75 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.46 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 23' ' ' LEU . 90.2 mt -59.54 -58.2 8.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.139 172.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -53.97 -35.74 62.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.722 -176.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 30.7 mm-40 -62.05 -60.45 3.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.522 0.677 . . . . 0.0 110.233 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HE3' HG23 ' B' ' 114' ' ' ILE . 61.4 mttm -61.08 -45.09 96.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.88 -178.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 4.7 mm-40 -53.91 -53.71 48.91 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.5 pt-20 -62.89 -31.85 72.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.108 -177.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 29' ' ' GLN . 27.8 mtpp -71.82 -45.62 60.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.243 0.544 . . . . 0.0 109.887 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' HB3' ' B' ' 120' ' ' GLU . 47.7 mt -65.73 -28.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.743 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 31' ' ' GLU . 83.7 mmt-85 -52.88 -47.68 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.715 175.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 t -65.92 -40.07 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.566 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.744 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.3 mm? -62.32 -41.47 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.362 175.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.3 ttt180 -63.45 -39.36 94.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.274 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.469 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 71.7 mm-40 -56.73 -44.25 81.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 111.278 172.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 37' ' ' LEU . 80.7 mtp180 -59.03 -45.79 89.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.922 175.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 15.1 mt -62.41 -28.86 70.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.981 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' ARG . 80.5 t -59.79 -50.05 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 110.49 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.33 -29.49 67.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 98.9 mtt180 -73.63 -20.45 60.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 110.507 174.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.04 32.7 20.08 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.121 -0.945 . . . . 0.0 113.018 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 30.6 t70 -64.78 -30.16 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.808 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.64 68.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 72.5 mmtt -91.95 -6.78 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.645 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.1 -15.31 81.49 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.0 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 m -121.17 107.75 12.96 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.8 -165.94 0.41 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.93 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 76.22 2.36 3.54 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.517 0.727 . . . . 0.0 111.274 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 124.167 0.987 . . . . 0.0 112.288 -177.369 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 CA-C-O 120.298 -0.168 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -76.65 -172.58 1.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.806 2.337 . . . . 0.0 113.259 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.402 HD23 ' N ' ' B' ' 86' ' ' LEU . 1.9 pt? -41.5 112.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.691 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.99 -55.92 0.53 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.515 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.4 m -87.88 -31.88 19.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.569 0.223 . . . . 0.0 110.74 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 10.0 mpt_? -59.61 -69.2 0.22 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 58.04 51.23 9.04 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.992 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 64.5 -168.24 0.21 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.91 -15.82 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.126 0.488 . . . . 0.0 110.315 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 38.5 t -56.06 -65.42 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.0 OUTLIER -76.11 -42.55 46.72 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.381 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 5.9 m-20 -50.39 -24.41 3.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.81 0.338 . . . . 0.0 111.677 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -79.28 -68.77 0.63 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -72.53 -46.58 53.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.296 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 6.8 mm-40 -66.55 -37.97 86.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.114 -174.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 2.7 tm? -74.11 -50.03 21.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.36 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.429 HE21 ' C ' ' B' ' 100' ' ' GLN . 0.0 OUTLIER -62.59 -31.95 72.87 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.328 -178.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.588 ' O ' HG12 ' B' ' 105' ' ' VAL . 90.7 t80 -53.91 -50.52 66.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.06 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.543 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 28.5 ptt180 -65.37 -24.79 67.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 0.0 110.747 -176.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 20' ' ' ASN . 4.1 t -72.88 -42.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.483 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.7 pt-20 -73.37 -29.11 62.42 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.588 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -69.26 -40.73 80.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 119.449 -0.9 . . . . 0.0 109.462 171.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 23.4 mm-40 -58.88 -41.12 86.36 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -53.34 -42.54 66.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.342 174.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -79.11 -52.3 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.823 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 105' ' ' VAL . 48.1 t -58.32 -45.82 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.374 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.52 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 8.3 m-30 -63.58 -34.97 78.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.116 0.484 . . . . 0.0 110.471 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 37.8 ttmt -67.25 -40.47 86.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.787 178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.6 mtpp -61.41 -37.73 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.655 176.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.628 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 25.0 mt-10 -60.25 -50.26 74.34 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 80.4 mt -56.12 -41.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.324 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 15.0 mt-30 -60.74 -44.05 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.308 0.575 . . . . 0.0 110.118 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.44 79.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.236 174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.0 mt -63.03 -23.72 67.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.228 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -65.61 -30.81 71.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 110.192 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.04 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.46 0.647 . . . . 0.0 109.756 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.1 mp0 -66.87 -27.76 67.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.381 173.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.19 -33.95 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.047 -0.408 . . . . 0.0 109.979 172.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 126' ' ' ARG . 21.4 tpt180 -63.09 -39.26 94.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.262 176.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.789 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 0.0 OUTLIER -66.51 -34.07 77.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.19 0.519 . . . . 0.0 109.722 177.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 93.6 mt -67.19 -37.9 84.47 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.446 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 91.0 mt-10 -63.78 -31.47 72.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.26 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 122' ' ' ARG . 83.2 mtp180 -65.09 -31.79 73.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.211 0.529 . . . . 0.0 109.924 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' B' ' 124' ' ' LEU . 8.5 tp -70.9 -48.19 55.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.689 174.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 62.8 mt -60.19 -58.41 8.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.829 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.23 -35.13 79.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.244 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -75.21 -8.57 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.945 0.403 . . . . 0.0 110.774 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.86 29.09 63.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.144 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' B' ' 127' ' ' LEU . 0.5 OUTLIER -79.88 -34.77 38.89 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.022 176.499 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.793 0.33 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -117.11 145.24 43.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.894 0.378 . . . . 0.0 110.512 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -92.37 -44.12 8.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.374 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.21 -48.25 36.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 9' ' ' ASP . 35.9 mt -84.11 98.33 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -94.67 -177.17 4.12 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -57.87 -27.34 63.17 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 109.639 175.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.11 -51.33 69.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.547 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 9.1 t70 -76.01 -29.19 58.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.413 0.625 . . . . 0.0 109.823 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.64 -61.64 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.644 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.03 -30.5 59.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.443 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 60.2 ttp85 -55.48 -46.69 76.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.818 0.342 . . . . 0.0 110.446 176.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 t80 -70.52 -47.91 58.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 176.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.602 ' O ' HG22 ' A' ' 17' ' ' VAL . 15.7 mm100 -54.7 -56.64 17.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.658 -178.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.8 mmmt -57.41 -30.16 64.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.247 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD11 ' HA ' ' B' ' 104' ' ' GLU . 24.0 tp -67.17 -43.13 83.0 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 110.524 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -63.1 -40.45 89.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.632 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.2 m -60.23 -40.48 90.34 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.584 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 23' ' ' LEU . 43.6 mt-10 -56.74 -45.95 81.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 8.8 p30 -79.11 -26.28 42.92 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.273 -177.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 12.5 mm-40 -64.17 -44.28 92.54 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.942 0.401 . . . . 0.0 110.995 175.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 18' ' ' THR . 23.2 mt-30 -60.87 -60.4 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.68 -176.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -78.88 -18.89 53.18 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -167.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 3.5 pt20 -65.77 -32.54 74.14 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.5 ttm180 -70.91 -47.23 60.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.325 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' LEU . 83.4 mt -55.6 -36.26 66.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.517 HG23 HD11 ' B' ' 117' ' ' LEU . 96.3 mt -59.81 -58.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.736 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -55.96 -33.88 65.17 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.679 -174.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -66.17 -47.07 75.18 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.599 0.714 . . . . 0.0 110.313 -179.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -70.9 -42.64 69.7 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.458 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 4.6 mm-40 -55.06 -50.78 68.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.236 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 28' ' ' THR . 7.2 pt-20 -58.69 -37.92 77.11 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 111.293 -177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -76.87 -38.02 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.628 0.251 . . . . 0.0 111.167 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.458 HG12 ' HB3' ' B' ' 120' ' ' GLU . 69.2 mt -65.27 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.594 0.235 . . . . 0.0 110.518 177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 65.6 mtp180 -56.36 -47.17 79.41 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.113 0.482 . . . . 0.0 110.219 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.46 -38.49 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.277 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.811 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 2.1 mm? -59.23 -42.23 90.56 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.488 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 42' ' ' VAL . 34.7 ttt180 -63.29 -42.24 99.06 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.875 -179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 25.8 mm-40 -61.56 -45.62 93.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.861 172.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -57.38 -40.04 77.32 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.044 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.811 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 7.9 mt -72.99 -21.89 60.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.961 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' ARG . 75.2 t -59.22 -42.38 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.16 0.505 . . . . 0.0 109.852 174.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.51 -4.95 59.25 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.55 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -30.27 22.91 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 170.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.35 34.73 4.96 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.562 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -79.98 0.02 33.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.783 0.801 . . . . 0.0 109.792 178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.02 12.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.66 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 71.2 mmtt -67.28 -24.06 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.044 0.45 . . . . 0.0 110.272 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.46 -94.3 0.33 Allowed Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.0 m -146.3 89.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.354 0.597 . . . . 0.0 110.789 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -143.35 89.69 2.11 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 174.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 mt -91.0 -80.85 0.33 Allowed 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.488 -174.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.091 -178.174 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.812 -0.115 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.455 ' O ' ' HZ ' ' B' ' 91' ' ' PHE . 82.5 Cg_endo -83.32 -169.94 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.542 2.828 . . . . 0.0 112.24 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.819 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -47.8 131.43 14.92 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.572 0.701 . . . . 0.0 111.774 175.534 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.94 2.23 88.39 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.609 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 2.7 p -66.07 -10.43 40.33 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.423 ' HE ' ' HB2' ' B' ' 89' ' ' ARG . 16.4 mtm180 -82.28 -18.53 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 68.83 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.905 0.753 . . . . 0.0 110.208 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.548 ' HA ' ' OD1' ' B' ' 94' ' ' ASP . 57.9 m-85 -61.74 -25.66 67.58 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.354 -175.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 60.0 t -57.01 -31.63 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.467 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 47.9 t -76.24 -51.53 19.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.72 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 3.8 p30 -75.54 -26.3 57.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.568 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.773 ' O ' ' HB3' ' B' ' 99' ' ' LEU . 0.3 OUTLIER -72.6 -24.0 61.02 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.843 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 96' ' ' ARG . 42.8 ttp180 -86.28 -71.33 0.55 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.18 -175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -76.56 -40.82 48.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.72 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 31.8 mt-10 -77.67 -34.15 53.11 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.992 -173.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.773 ' HB3' ' O ' ' B' ' 95' ' ' ASP . 2.8 tm? -76.24 -45.83 31.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.987 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.08 -32.7 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.067 0.461 . . . . 0.0 110.298 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.626 ' O ' HG12 ' B' ' 105' ' ' VAL . 54.6 t80 -59.81 -43.77 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.962 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 1.3 ptm180 -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.373 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 99' ' ' LEU . 11.4 t -73.2 -44.46 55.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.837 -177.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.588 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -64.03 -43.26 96.13 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 177.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.626 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -62.1 -41.86 92.8 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.095 176.464 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 19.9 mm-40 -57.6 -45.36 85.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.635 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.443 ' O ' HD11 ' A' ' 23' ' ' LEU . 3.2 t-20 -55.87 -46.28 78.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.136 0.493 . . . . 0.0 110.722 175.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -74.63 -43.2 56.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 105' ' ' VAL . 86.0 t -59.4 -48.57 86.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 111.05 178.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.405 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 18.7 m-85 -62.45 -29.29 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 4.5 tmtp? -68.63 -40.44 80.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 25.4 mtpp -57.52 -41.13 80.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.587 176.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 16.4 mt-10 -60.78 -51.49 69.1 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 23' ' ' LEU . 77.5 mt -57.83 -35.73 52.61 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 34.1 mt-30 -69.18 -39.34 78.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.458 0.647 . . . . 0.0 110.028 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.38 92.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.808 173.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 69.3 mt -66.35 -25.57 66.88 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.76 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.03 -32.41 72.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.41 . . . . 0.0 110.39 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.23 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.672 0.748 . . . . 0.0 109.647 172.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.804 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.4 OUTLIER -70.89 -28.24 64.39 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.715 175.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.59 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.39 -32.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 121.976 -0.452 . . . . 0.0 110.073 173.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -62.63 -45.06 94.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.495 175.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.804 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.6 ptmt -64.69 -34.92 79.45 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.247 0.546 . . . . 0.0 109.928 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 85.1 mt -63.14 -57.64 9.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.636 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.1 mt-10 -61.22 -36.79 80.88 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -61.61 -35.58 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.683 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.51 -30.68 29.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.698 176.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 61.4 mt -58.47 -57.52 12.58 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.27 0.557 . . . . 0.0 110.138 174.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -58.92 -40.39 84.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 35.0 t -67.87 -39.98 83.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 112.89 28.1 3.52 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.204 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 132' ' ' LEU . 3.9 mm? -88.92 -25.15 22.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.515 ' HB ' HD23 ' B' ' 128' ' ' LEU . 7.3 m . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.705 -176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.704 0.287 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 63.11 97.14 0.04 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.639 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 m -104.4 12.3 33.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.851 175.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.27 -58.77 1.89 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.024 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.6 mt -85.34 128.12 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.001 -175.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -99.35 -174.68 2.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -62.69 -25.85 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.651 -0.42 . . . . 0.0 109.99 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -48.7 -68.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.319 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.09 -22.05 56.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 -174.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -65.59 -61.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.17 -34.42 66.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 110.636 177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -57.66 -50.91 71.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.422 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.1 t80 -63.59 -46.37 86.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.793 176.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.606 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -54.5 -53.55 52.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.581 -178.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 18' ' ' THR . 64.0 mmtt -55.59 -30.9 61.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.803 178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' B' ' 104' ' ' GLU . 12.7 tp -70.29 -45.53 66.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.991 0.424 . . . . 0.0 110.762 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.1 m -65.64 -31.17 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.721 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.7 m -60.73 -49.7 76.46 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.332 176.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HD22 ' A' ' 23' ' ' LEU . 45.1 mt-10 -52.17 -45.67 65.18 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.494 0.496 . . . . 0.0 110.167 176.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.51 -48.68 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.2 mm-40 -57.75 -38.37 75.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.3 . . . . 0.0 111.462 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.721 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -62.95 -62.39 1.75 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 -177.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -80.71 -20.05 43.72 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -167.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.4 pt20 -67.19 -31.8 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 28' ' ' THR . 1.7 ttm180 -71.18 -42.86 68.51 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.15 175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 23' ' ' LEU . 77.2 mt -61.02 -33.23 72.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.056 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 23' ' ' LEU . 98.8 mt -64.59 -57.18 12.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.232 172.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -56.34 -37.08 69.52 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 123.36 0.413 . . . . 0.0 111.436 -175.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 85.0 mm-40 -60.97 -56.2 23.93 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.312 0.577 . . . . 0.0 110.75 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -61.33 -50.11 74.28 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.47 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 12.2 mm-40 -47.59 -59.05 3.54 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 123.212 0.605 . . . . 0.0 112.333 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.0 pt-20 -57.67 -32.15 67.05 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.029 0.205 . . . . 0.0 111.376 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -77.59 -42.28 35.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.501 HG23 ' HD3' ' B' ' 123' ' ' LYS . 73.3 mt -63.09 -34.48 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 98.6 mtt180 -62.13 -37.19 84.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.21 0.528 . . . . 0.0 110.29 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 32' ' ' GLU . 21.7 t -67.84 -36.76 76.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.811 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -65.77 -35.91 82.05 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.928 174.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mtt180 -59.88 -35.07 74.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.935 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 12.1 mm100 -65.71 -40.68 92.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.029 174.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -57.59 -41.67 81.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.278 0.561 . . . . 0.0 109.572 172.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 18.5 mt -69.63 -23.17 63.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.613 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -65.26 -46.4 90.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 109.874 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.62 -39.19 84.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.519 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.69 -40.21 96.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.155 173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 48' ' ' LYS . . . 107.96 -6.78 35.18 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.955 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.42 -26.69 66.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.411 -0.394 . . . . 0.0 111.433 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.16 -0.23 17.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.222 0.534 . . . . 0.0 110.408 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 45.2 tptt -98.18 2.23 48.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.488 0.661 . . . . 0.0 109.98 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.62 -24.97 68.74 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.563 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -129.62 117.71 20.82 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.831 0.824 . . . . 0.0 109.911 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.49 93.86 8.42 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.033 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.1 mt -92.5 -13.09 30.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.843 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.245 179.453 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 113.3 0.08 . . . . 0.0 113.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.73 -171.24 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.305 2.67 . . . . 0.0 112.991 -175.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 88' ' ' SER . 0.4 OUTLIER -44.26 154.64 0.11 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.696 0.76 . . . . 0.0 112.902 177.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 16.51 5.77 Favored Glycine 0 CA--C 1.519 0.329 0 CA-C-N 115.147 -0.933 . . . . 0.0 113.712 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.524 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 43.2 m -65.59 1.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -72.25 -24.95 61.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 93' ' ' VAL . 56.6 mtp180 -109.83 87.19 2.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.418 ' HA ' ' OD2' ' B' ' 94' ' ' ASP . 88.4 m-85 -58.21 -18.35 25.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.715 -170.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.54 -37.12 79.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.775 0.322 . . . . 0.0 111.094 177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 90' ' ' ARG . 9.1 p -78.82 -25.41 13.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.374 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 44.3 m-20 -59.73 -69.12 0.22 Allowed 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -57.32 -21.23 33.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 38.7 ttm180 -80.84 -68.53 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.209 -179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -71.61 -45.6 61.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 34.3 mm-40 -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -172.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.653 ' O ' HG23 ' B' ' 103' ' ' VAL . 2.5 tm? -62.36 -55.5 27.38 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.112 -177.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 24.7 pt20 -64.42 -28.5 69.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.663 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.532 ' O ' HG12 ' B' ' 105' ' ' VAL . 60.4 t80 -67.9 -44.12 77.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 177.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 3.9 ptp180 -63.4 -26.75 68.89 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.295 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 99' ' ' LEU . 5.3 t -70.1 -42.96 79.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.624 ' HA ' HD11 ' A' ' 16' ' ' LEU . 3.5 pt-20 -70.06 -34.02 72.67 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 109' ' ' VAL . 0.1 OUTLIER -67.95 -42.18 85.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 119.371 -0.932 . . . . 0.0 109.571 172.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 26.3 mm-40 -57.67 -42.42 83.52 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.14 174.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 19' ' ' GLU . 12.7 t-20 -51.43 -51.96 50.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.544 172.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -64.22 -49.68 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 105' ' ' VAL . 63.3 t -57.28 -46.68 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.176 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.471 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 15.7 m-85 -63.31 -37.09 85.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.672 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -65.9 -40.89 91.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 109.987 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 27.7 mtpp -59.84 -38.32 81.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.82 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 18.2 mt-10 -61.72 -47.11 86.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.191 177.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.1 -33.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.81 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.64 -50.21 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.481 0.658 . . . . 0.0 109.787 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.32 -47.29 81.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.481 174.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 65.8 mt -67.17 -19.33 65.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.619 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.3 t70 -68.69 -29.95 68.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 109.98 178.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.77 -35.39 79.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.665 0.745 . . . . 0.0 109.615 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.799 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.6 OUTLIER -71.61 -27.67 63.28 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.54 174.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.585 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.3 mp -53.88 -31.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 O-C-N 122.079 -0.388 . . . . 0.0 110.053 171.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -62.18 -47.06 86.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.702 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.799 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 10.9 ptmt -64.8 -32.98 74.92 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.277 0.56 . . . . 0.0 109.999 177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 80.4 mt -66.37 -49.04 68.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.109 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 41.7 mt-10 -68.16 -32.68 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 13.1 ptm180 -64.18 -31.47 72.68 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.44 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' B' ' 132' ' ' LEU . 44.6 tp -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.831 173.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 88.1 mt -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.101 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' B' ' 130' ' ' SER . 3.8 pt-20 -72.66 -39.25 67.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.23 -170.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' B' ' 129' ' ' GLU . 11.0 t -81.96 -21.93 36.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.843 0.354 . . . . 0.0 111.642 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.7 30.15 56.61 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.886 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' B' ' 127' ' ' LEU . 29.8 tp -54.74 -69.55 0.13 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.458 ' H ' ' CD1' ' B' ' 127' ' ' LEU . 5.0 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.431 -0.319 . . . . 0.0 110.848 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 63.82 76.7 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.742 0.651 . . . . 0.0 111.319 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -102.58 -50.11 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.73 41.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.218 0.532 . . . . 0.0 110.647 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 ' HB3' ' A' ' 9' ' ' ASP . 44.3 mt -84.01 124.78 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -96.01 -177.93 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' HG2' ' CG ' ' A' ' 11' ' ' GLU . 24.4 tttp -62.36 -27.95 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -49.84 -65.63 0.53 Allowed 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.324 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 5' ' ' ILE . 23.8 t0 -65.78 -33.19 75.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.024 -176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.69 -62.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.598 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 27.1 mm-40 -56.95 -36.21 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.911 -177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -65.52 -36.86 85.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' O ' HG13 ' A' ' 17' ' ' VAL . 20.3 t80 -69.18 -45.84 68.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.138 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.664 ' O ' HG22 ' A' ' 17' ' ' VAL . 29.7 mm-40 -53.16 -56.06 19.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.385 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 31.2 mmmt -57.62 -34.48 69.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.43 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' B' ' 104' ' ' GLU . 15.9 tp -66.97 -44.24 81.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.903 0.382 . . . . 0.0 110.998 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.7 m -62.45 -39.15 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.72 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.3 m -55.72 -48.79 74.59 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.459 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 40.6 mt-10 -54.84 -47.22 74.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.552 ' ND2' ' HA ' ' A' ' 17' ' ' VAL . 4.9 p30 -78.91 -28.06 43.87 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.321 -0.551 . . . . 0.0 111.619 -174.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 42.9 mm-40 -62.22 -38.3 88.66 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 117.937 0.335 . . . . 0.0 111.672 175.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.72 ' HG3' ' O ' ' A' ' 18' ' ' THR . 31.7 mt-30 -59.45 -63.48 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.526 0.679 . . . . 0.0 111.037 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -18.56 48.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.626 -168.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 27' ' ' ILE . 9.3 pt20 -65.96 -29.83 70.29 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.77 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 6.1 ttt180 -70.24 -44.84 67.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 23' ' ' LEU . 63.9 mt -59.56 -38.95 82.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.204 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 HD11 ' B' ' 117' ' ' LEU . 92.3 mt -57.74 -54.71 27.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.176 170.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -56.02 -34.29 65.71 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.902 -1.045 . . . . 0.0 112.169 -176.441 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 61.5 mt-30 -57.74 -52.22 66.35 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.994 0.902 . . . . 0.0 110.283 176.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 18.7 mmmt -73.81 -39.99 63.7 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.295 -176.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.48 -46.93 80.19 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 28' ' ' THR . 9.6 pt-20 -63.29 -32.31 73.68 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.844 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 44.2 mmtm -72.44 -47.06 51.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.073 0.463 . . . . 0.0 109.804 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.538 HG12 ' HB3' ' B' ' 120' ' ' GLU . 43.9 mt -65.39 -28.03 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.759 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 14.0 ttt180 -58.67 -35.12 72.08 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.124 0.488 . . . . 0.0 111.156 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.8 t -69.85 -35.73 66.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.577 0.703 . . . . 0.0 109.592 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.4 mm? -68.16 -27.12 66.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.362 174.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 40.9 mmt180 -57.0 -45.93 82.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 31.2 mm-40 -57.73 -41.77 82.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.039 176.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' B' ' 133' ' ' THR . 0.0 OUTLIER -58.79 -39.02 79.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 174.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.1 mt -81.73 -16.64 50.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.691 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 38' ' ' ARG . 68.9 t -62.53 -40.37 87.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 169.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.82 -17.4 59.86 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.627 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 41' ' ' LEU . 1.3 ptm180 -89.02 -33.25 17.23 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.481 0.658 . . . . 0.0 109.235 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.92 21.26 7.54 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.688 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.15 -30.59 43.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.38 0.61 . . . . 0.0 110.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.65 -2.94 18.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.461 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.42 -25.81 54.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.063 0.459 . . . . 0.0 110.2 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.76 118.93 6.27 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.8 m -115.4 98.07 6.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.91 134.55 43.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.992 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.31 66.78 9.88 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.337 0.589 . . . . 0.0 110.736 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.594 178.774 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.41 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -77.34 -170.37 0.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.915 2.41 . . . . 0.0 110.931 169.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 89' ' ' ARG . 0.2 OUTLIER -42.81 110.37 0.18 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.596 0.712 . . . . 0.0 111.983 175.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.78 -0.82 85.97 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.398 -0.819 . . . . 0.0 113.109 -174.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 66.7 m -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' HB3' HD13 ' B' ' 86' ' ' LEU . 39.4 ttm180 -101.17 -43.73 5.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 49.63 55.55 9.21 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.424 0.452 . . . . 0.0 110.306 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . 0.673 ' O ' ' HB2' ' B' ' 95' ' ' ASP . 47.2 p90 -66.59 -12.3 57.31 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -169.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 95.5 t -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 121.846 -0.534 . . . . 0.0 110.014 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.68 -51.15 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.084 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.72 -54.69 23.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.673 ' HB2' ' O ' ' B' ' 91' ' ' PHE . 12.7 m-20 -64.77 -3.83 3.71 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 17.3 tpp180 -77.06 -65.96 0.88 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -75.27 -43.74 49.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.393 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.11 -38.25 78.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.453 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.737 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.7 tm? -62.04 -56.84 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -62.56 -29.43 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.534 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.438 ' O ' HG12 ' B' ' 105' ' ' VAL . 73.5 t80 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 175.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.567 ' HA ' ' CG1' ' B' ' 105' ' ' VAL . 16.8 ptt180 -68.79 -21.07 64.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.937 -175.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 99' ' ' LEU . 27.1 t -68.38 -46.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 121.335 -0.146 . . . . 0.0 111.075 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 16' ' ' LEU . 4.6 pt-20 -67.5 -36.99 82.16 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' B' ' 102' ' ' ARG . 0.1 OUTLIER -65.42 -39.52 85.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.764 173.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 21.7 mm-40 -59.92 -42.56 94.22 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.705 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -52.99 -40.44 63.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.253 0.549 . . . . 0.0 110.824 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -78.4 -52.33 8.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.237 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 105' ' ' VAL . 88.9 t -57.28 -43.65 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.593 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.545 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 10.6 m-85 -58.0 -40.39 80.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.55 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 26.4 ttpp -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 109.762 177.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -63.16 -33.55 75.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.056 178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 20.6 mt-10 -59.62 -50.99 71.72 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 174.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.79 -36.33 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 9.7 mt-30 -66.98 -44.81 79.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.0 110.066 178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.49 96.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.295 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.59 HD11 HG23 ' A' ' 27' ' ' ILE . 75.3 mt -66.42 -25.42 66.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' B' ' 115' ' ' GLN . 10.1 t70 -61.39 -31.02 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.029 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -67.92 -40.93 83.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 110.264 172.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.857 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.0 OUTLIER -66.41 -28.09 68.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 174.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.677 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -54.6 -34.18 28.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 121.819 -0.55 . . . . 0.0 110.048 173.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' B' ' 125' ' ' GLU . 43.4 ttm180 -60.58 -46.35 90.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.755 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.857 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.0 ptmt -65.24 -35.44 81.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 109.835 177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.582 ' O ' HD13 ' B' ' 128' ' ' LEU . 67.8 mt -60.16 -44.53 94.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.58 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.677 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 51.4 mt-10 -55.69 -32.43 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.782 ' HG2' ' O ' ' B' ' 123' ' ' LYS . 5.3 ptp180 -70.77 -24.51 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.235 178.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.93 -57.59 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.582 HD13 ' O ' ' B' ' 124' ' ' LEU . 9.3 mp -45.0 -66.69 0.36 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -84.98 -37.2 20.74 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.672 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 27.4 t -91.48 -26.09 18.97 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.309 -173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 89.13 30.08 15.44 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.868 177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 32.0 tp -47.95 -46.0 31.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 112.065 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 25.6 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.011 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 56.84 48.86 15.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -96.15 8.03 44.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.918 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.86 91.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.285 0.564 . . . . 0.0 109.571 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.3 mt -90.81 99.23 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.69 171.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -103.18 -172.92 2.2 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -56.79 -31.06 64.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.08 -46.72 75.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.757 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.55 -41.52 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 29.0 tt0 -63.59 -55.37 24.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.09 179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -50.84 -42.98 59.01 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.395 0.434 . . . . 0.0 110.763 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -62.13 -46.28 89.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.423 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' O ' HG13 ' A' ' 17' ' ' VAL . 19.0 t80 -64.65 -51.57 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.076 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' O ' HG22 ' A' ' 17' ' ' VAL . 32.8 mt-30 -53.77 -52.36 60.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.772 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.559 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 14.1 mmmm -61.91 -31.55 71.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.418 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HA ' ' B' ' 104' ' ' GLU . 17.3 tp -62.74 -51.72 66.04 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.4 m -59.34 -37.69 70.75 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.697 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 2.7 m -56.34 -42.39 77.63 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.71 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HD22 ' A' ' 23' ' ' LEU . 44.2 mt-10 -59.05 -45.69 90.12 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.284 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.607 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -79.65 -26.24 41.11 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 18.5 mm-40 -62.6 -40.36 96.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.219 0.463 . . . . 0.0 111.55 175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.7 mt-30 -62.91 -60.48 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.259 0.552 . . . . 0.0 111.451 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -80.18 -17.94 51.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.656 -167.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.8 pt20 -65.74 -33.39 75.76 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.245 172.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 1.8 ttm180 -65.09 -45.71 84.1 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.361 174.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.686 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 53.9 mt -58.99 -38.21 78.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.111 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' GLN . 97.8 mt -60.34 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.657 173.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -55.8 -33.49 64.45 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.595 -175.042 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 16.3 mm100 -66.41 -53.36 36.67 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.32 0.581 . . . . 0.0 110.393 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 26.8 mmtp -60.56 -46.9 88.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.186 178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 4.3 mm-40 -56.95 -45.05 83.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -177.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 28' ' ' THR . 6.1 pt-20 -67.66 -32.57 73.34 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.111 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -73.69 -46.03 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.768 0.318 . . . . 0.0 110.446 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG12 ' HB3' ' B' ' 120' ' ' GLU . 51.3 mt -63.18 -31.47 52.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.439 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 32.6 ttm180 -50.81 -44.58 59.09 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 123.326 0.65 . . . . 0.0 111.116 175.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.87 -44.21 99.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.29 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 4.1 mm? -63.24 -34.76 78.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.569 176.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 42' ' ' VAL . 23.8 ttt180 -68.92 -34.52 75.52 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.363 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 12.3 mm100 -59.01 -39.87 83.18 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HD3' ' OXT' ' B' ' 133' ' ' THR . 0.0 OUTLIER -59.44 -43.88 93.05 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.363 0.601 . . . . 0.0 109.877 173.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 9.8 mt -70.48 -23.21 62.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.66 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 38' ' ' ARG . 73.1 t -60.47 -49.04 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.702 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.11 -27.44 66.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -79.14 -27.61 42.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.802 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.91 -0.36 76.18 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.493 -175.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.32 -0.01 47.8 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 122.689 0.395 . . . . 0.0 110.998 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.43 -23.04 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.28 0.562 . . . . 0.0 110.047 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -96.76 -51.18 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.539 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.51 48.61 80.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.563 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.0 m -143.56 109.36 5.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.891 0.377 . . . . 0.0 110.395 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.67 120.54 9.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.092 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 1.5 pt? -145.08 100.67 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.221 0.534 . . . . 0.0 110.208 -178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.689 179.66 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.97 -171.51 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.814 2.343 . . . . 0.0 111.845 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.97 104.77 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.465 0.65 . . . . 0.0 111.8 175.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 12.42 31.65 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.915 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 24.9 m -97.47 13.61 29.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.303 0.573 . . . . 0.0 110.213 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -69.1 -67.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' B' ' 94' ' ' ASP . 37.3 mmt180 51.41 -104.13 0.16 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.32 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 7.7 t80 69.32 175.97 0.28 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.336 -178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 -36.72 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -174.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.06 -48.41 81.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.891 0.377 . . . . 0.0 111.587 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' B' ' 98' ' ' GLU . 1.4 t0 -74.94 -46.83 32.99 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -65.35 -7.12 12.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.041 0.448 . . . . 0.0 111.585 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 2.7 tpm_? -72.46 -65.51 0.77 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -72.4 -53.17 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.585 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 4.7 mm-40 -59.98 -44.92 94.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.704 ' O ' ' HG2' ' B' ' 102' ' ' ARG . 3.0 tm? -62.81 -55.66 24.36 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.367 -176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 104' ' ' GLU . 26.3 pt20 -65.3 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.432 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.706 ' O ' HG12 ' B' ' 105' ' ' VAL . 63.7 t80 -64.14 -39.56 94.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 12.9 ptm180 -73.65 -21.62 60.22 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 120.59 0.233 . . . . 0.0 110.56 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 99' ' ' LEU . 5.4 t -75.99 -49.22 26.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.629 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -60.42 -39.47 87.54 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.706 HG12 ' O ' ' B' ' 101' ' ' TYR . 1.2 p -64.2 -42.28 95.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.962 175.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.5 mm-40 -58.45 -44.15 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.533 176.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.39 -47.17 69.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 110.855 174.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.47 -52.94 21.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.717 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 105' ' ' VAL . 91.0 t -56.51 -43.92 79.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.561 -176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 21.1 m-30 -62.26 -36.74 83.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 40.2 ttmt -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.3 0.571 . . . . 0.0 109.858 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' B' ' 109' ' ' VAL . 26.1 mtpp -61.36 -34.24 74.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.765 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 28.8 mt-10 -63.7 -50.47 69.06 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.127 176.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.24 -36.22 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.977 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 51.7 mt-30 -63.09 -48.77 77.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.357 0.598 . . . . 0.0 109.965 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.48 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.317 174.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 78.8 mt -64.16 -23.83 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.476 -177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 24.8 t70 -65.32 -29.27 70.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.516 . . . . 0.0 110.019 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' B' ' 122' ' ' ARG . . . -66.67 -40.35 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 109.679 171.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.818 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 1.4 mp0 -67.73 -27.75 67.07 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.708 175.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -55.44 -32.3 29.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 O-C-N 121.805 -0.559 . . . . 0.0 109.926 173.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 56.0 ttp180 -60.71 -47.61 85.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.948 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.818 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 6.7 ptmt -64.42 -34.58 78.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.289 0.566 . . . . 0.0 109.917 177.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.528 ' O ' HD13 ' B' ' 128' ' ' LEU . 64.0 mt -63.59 -43.16 97.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.666 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 48.6 mt-10 -62.5 -21.18 65.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' B' ' 130' ' ' SER . 16.1 mmm180 -70.02 -26.32 63.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.201 0.524 . . . . 0.0 109.869 173.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.57 -63.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.918 173.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 124' ' ' LEU . 8.9 mp -41.52 -61.16 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.933 0.771 . . . . 0.0 112.549 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.52 -43.53 11.34 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' B' ' 126' ' ' ARG . 22.7 t -96.35 -7.93 33.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -168.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.71 30.28 74.52 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.995 -0.622 . . . . 0.0 113.459 175.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.15 -45.86 53.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.581 0.352 . . . . 0.0 111.291 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . 0.464 ' OXT' ' HD3' ' A' ' 40' ' ' ARG . 22.0 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.984 -0.531 . . . . 0.0 111.013 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.361 0.124 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 67.52 -78.13 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.583 0.753 . . . . 0.0 111.947 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 m -81.12 4.49 19.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.74 0.305 . . . . 0.0 111.738 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.95 -15.18 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.56 0.695 . . . . 0.0 109.859 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mt -90.36 115.08 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.513 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -87.33 -176.51 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 40.3 tttp -67.49 -15.46 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 177.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 35.8 mm-40 -51.24 -61.94 1.92 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.653 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -58.29 -40.83 82.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.541 0.525 . . . . 0.0 111.23 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.55 -63.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.197 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 34.8 mm-40 -63.5 -19.29 64.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.604 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 27.6 ttm180 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' O ' HG13 ' A' ' 17' ' ' VAL . 16.0 t80 -80.67 -51.27 8.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 177.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 17' ' ' VAL . 16.1 mm100 -53.02 -59.0 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.896 0.379 . . . . 0.0 111.862 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 29.4 mmtp -61.25 -28.95 69.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.368 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 20.4 tp -63.49 -43.64 96.68 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.643 0.259 . . . . 0.0 110.592 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -59.43 -40.94 82.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.719 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -59.82 -45.12 93.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.085 -179.603 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.636 ' O ' HD22 ' A' ' 23' ' ' LEU . 7.0 mm-40 -58.89 -42.25 89.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.304 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.438 HD22 HG13 ' B' ' 103' ' ' VAL . 55.0 t30 -67.73 -40.09 84.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.276 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 3.9 mm-40 -74.79 -36.69 62.49 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.411 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.719 ' HG3' ' O ' ' A' ' 18' ' ' THR . 39.2 mt-30 -65.82 -55.97 14.35 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.544 -177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -73.62 -22.37 60.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -167.138 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.0 pt20 -69.17 -30.97 69.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 109.69 174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -72.2 -41.34 67.06 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.653 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 23' ' ' LEU . 85.5 mt -61.36 -39.26 89.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.323 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 23' ' ' LEU . 92.6 mt -60.55 -52.15 64.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.658 171.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -53.38 -43.54 67.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.47 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 17.9 pt20 -78.19 -33.22 50.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.619 0.247 . . . . 0.0 111.433 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 34.0 mmtp -77.22 -41.29 41.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -52.93 -49.07 66.73 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.362 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HG3' ' HD2' ' A' ' 33' ' ' LYS . 3.8 pt-20 -64.0 -42.19 97.26 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HD2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -69.24 -47.57 64.36 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.013 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 HG23 ' HD3' ' B' ' 123' ' ' LYS . 62.5 mt -59.27 -37.57 69.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.44 -177.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 20.9 ttm180 -58.74 -34.19 71.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 121.072 0.463 . . . . 0.0 110.733 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 t -79.53 -39.11 20.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.158 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 3.1 mm? -53.41 -46.15 69.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.267 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.3 ptm180 -61.22 -39.33 89.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.301 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 11.1 mm100 -69.42 -38.21 77.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.589 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 51.2 mtt180 -61.75 -41.97 98.36 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.766 177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 10.5 mt -65.86 -26.11 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.262 177.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.565 ' HB ' ' O ' ' A' ' 39' ' ' GLN . 72.0 t -59.3 -44.19 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.303 0.573 . . . . 0.0 110.261 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.95 -15.7 62.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 25.9 mtm180 -102.57 -30.22 11.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 0.0 111.003 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 78.8 1.18 Allowed Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.072 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.92 -24.77 64.6 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.01 84.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -93.95 -25.29 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.657 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -159.93 26.66 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.422 HG23 HD23 ' A' ' 52' ' ' LEU . 12.1 t -170.93 135.24 1.03 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.952 0.406 . . . . 0.0 109.964 179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -75.81 123.8 26.23 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.83 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 50' ' ' THR . 2.2 pp -140.99 27.09 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.567 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' B' ' 86' ' ' LEU . 98.3 Cg_endo -79.87 -171.97 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.573 2.182 . . . . 0.0 112.323 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.75 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -48.92 128.3 15.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.239 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.24 -12.06 34.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 32.6 m -109.98 19.65 18.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 110.541 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -52.0 -62.18 1.79 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.422 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' B' ' 94' ' ' ASP . 82.9 mtm180 -96.17 41.68 1.1 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.169 0.509 . . . . 0.0 110.128 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 64.36 -171.21 0.18 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.016 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' B' ' 96' ' ' ARG . 39.0 t -74.6 -42.31 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.601 0.239 . . . . 0.0 110.538 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.99 -60.93 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.949 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' B' ' 90' ' ' ARG . 0.8 OUTLIER -67.92 -65.73 0.66 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.651 -176.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.56 -3.19 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -169.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.663 ' HB2' ' O ' ' B' ' 92' ' ' VAL . 0.0 OUTLIER -77.54 -60.0 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 171.043 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -71.3 -49.52 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.654 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 3.7 mm-40 -55.77 -44.32 77.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.023 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.694 ' O ' HG23 ' B' ' 103' ' ' VAL . 3.0 tm? -67.59 -55.46 13.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 -176.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 4.0 pt20 -61.69 -30.82 70.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.642 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.591 ' O ' HG12 ' B' ' 105' ' ' VAL . 67.6 t80 -67.48 -37.42 82.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.024 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' B' ' 99' ' ' LEU . 16.5 ptm180 -77.07 -24.86 51.9 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -177.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 99' ' ' LEU . 13.0 t -68.93 -44.46 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 110.341 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 16' ' ' LEU . 2.1 pt-20 -65.78 -40.09 91.64 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.2 OUTLIER -63.2 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.455 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.569 175.614 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 25.6 mm-40 -60.17 -44.16 95.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.686 0.279 . . . . 0.0 110.579 175.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' B' ' 111' ' ' LYS . 53.0 t30 -58.98 -33.56 70.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -81.02 -50.77 9.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.569 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 105' ' ' VAL . 87.9 t -60.12 -50.74 79.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.505 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.502 ' HA ' ' HG3' ' B' ' 113' ' ' GLU . 2.3 m-85 -65.41 -26.72 68.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.461 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.572 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 1.5 tmtp? -66.76 -41.52 87.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.387 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -59.52 -38.72 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.64 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' B' ' 117' ' ' LEU . 12.7 mt-10 -60.84 -50.89 71.62 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 79.9 mt -57.0 -29.25 30.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.466 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 33.3 mt-30 -69.24 -42.65 75.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.026 0.441 . . . . 0.0 110.228 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.22 80.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.575 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' B' ' 113' ' ' GLU . 40.5 mt -62.64 -27.8 69.47 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.617 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' B' ' 121' ' ' ILE . 9.8 t70 -60.0 -35.02 74.13 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.856 0.463 . . . . 0.0 111.376 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.99 92.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.895 0.855 . . . . 0.0 109.777 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.824 ' O ' ' HG2' ' B' ' 123' ' ' LYS . 0.7 OUTLIER -73.17 -27.48 61.68 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.255 175.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.4 mp -57.71 -28.85 33.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 121.749 -0.594 . . . . 0.0 109.779 172.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -63.29 -45.14 92.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.671 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.824 ' HG2' ' O ' ' B' ' 120' ' ' GLU . 8.5 ptmt -64.01 -37.91 89.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 128' ' ' LEU . 69.9 mt -59.41 -48.7 80.64 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.455 174.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 47.9 mt-10 -52.77 -31.66 39.54 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.361 0.413 . . . . 0.0 111.582 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' B' ' 130' ' ' SER . 2.4 mpt_? -65.53 -25.46 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.303 177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 37' ' ' LEU . 10.1 mp -88.8 -46.62 8.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.109 173.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 125' ' ' GLU . 10.5 mp -47.02 -63.55 1.01 Allowed 'General case' 0 N--CA 1.457 -0.076 0 CA-C-O 120.932 0.396 . . . . 0.0 111.672 172.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.73 -14.39 62.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.919 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.586 ' HB2' ' O ' ' B' ' 126' ' ' ARG . 17.2 t -81.97 -13.29 57.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.477 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 90.08 21.72 37.94 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.119 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -94.54 -53.02 4.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.79 0.328 . . . . 0.0 110.169 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.541 -0.742 . . . . 0.0 110.798 -176.905 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -139.71 132.57 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.447 -177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -98.12 -4.76 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.76 -16.58 53.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.164 0.506 . . . . 0.0 110.141 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 9' ' ' ASP . 48.6 mm -59.15 119.71 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.47 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m -107.73 -172.13 2.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.379 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.07 -28.37 64.5 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.07 -53.29 21.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.842 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.563 ' HB3' HG23 ' A' ' 5' ' ' ILE . 16.5 t70 -82.58 -36.99 25.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.122 0.487 . . . . 0.0 110.95 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -68.94 -64.21 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.611 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.56 -35.06 78.28 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.102 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -64.87 -38.81 92.21 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 17' ' ' VAL . 23.0 t80 -67.89 -52.61 34.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.232 177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 17' ' ' VAL . 20.7 mm-40 -55.24 -53.91 50.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.745 -177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 32.1 mmmt -55.8 -34.22 65.13 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.412 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' B' ' 104' ' ' GLU . 22.4 tp -68.6 -42.38 78.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -64.7 -37.01 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -63.36 -39.61 95.0 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.745 178.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HD22 ' A' ' 23' ' ' LEU . 41.3 mt-10 -57.57 -41.21 80.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.304 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.582 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 10.1 p30 -82.54 -26.68 32.21 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.23 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 3.7 mm-40 -59.85 -46.06 90.47 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.224 0.535 . . . . 0.0 110.708 175.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 18' ' ' THR . 75.7 mt-30 -58.54 -62.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.673 -176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' O ' HG13 ' A' ' 27' ' ' ILE . 1.1 pt? -79.2 -18.33 53.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -167.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 27' ' ' ILE . 3.2 pt20 -67.34 -28.57 68.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.619 0.723 . . . . 0.0 109.217 174.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 2.4 ttm180 -74.89 -38.86 61.78 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.524 175.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 23' ' ' LEU . 78.1 mt -64.77 -28.58 69.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.204 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 23' ' ' LEU . 94.3 mt -67.05 -52.89 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.971 171.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -52.48 -35.08 51.97 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.578 -177.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 12.8 mm100 -65.01 -56.68 11.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.515 0.674 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.78 -42.36 90.9 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.596 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 5.7 mm-40 -57.14 -43.84 82.83 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 28' ' ' THR . 5.3 pt-20 -69.24 -29.63 67.61 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.847 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -77.19 -42.47 37.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.159 0.504 . . . . 0.0 109.737 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' HB3' ' B' ' 120' ' ' GLU . 50.3 mt -68.54 -29.2 43.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.398 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 35.5 ttt180 -52.65 -42.48 64.72 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.971 0.509 . . . . 0.0 111.177 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 t -62.88 -36.67 76.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.923 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 1.8 mm? -76.08 -26.26 56.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.082 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.5 mmt180 -61.63 -38.75 88.81 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' O ' ' HB ' ' A' ' 42' ' ' VAL . 10.8 mm100 -60.84 -40.17 91.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 175.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -60.75 -41.29 95.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.15 0.5 . . . . 0.0 109.859 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 19.4 mt -69.66 -24.93 63.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.41 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' ARG . 53.1 t -62.83 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 109.772 173.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.06 -36.15 81.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.529 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -72.79 -33.75 66.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.874 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.18 -5.02 49.01 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.972 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.16 -31.0 68.3 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.364 0.266 . . . . 0.0 111.166 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . . . -96.7 6.41 48.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.205 0.526 . . . . 0.0 110.184 177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -97.58 -35.78 10.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.306 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.53 -89.3 1.03 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.709 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.1 m -151.16 104.9 3.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.073 0.463 . . . . 0.0 109.847 177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.22 112.82 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.66 44.13 0.33 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.504 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.244 -177.312 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 CA-C-O 119.957 -0.357 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -86.52 -171.53 0.82 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.714 2.276 . . . . 0.0 111.696 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.72 HD13 ' H ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -52.14 131.43 32.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.486 0.66 . . . . 0.0 111.683 177.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.16 -10.16 85.8 Favored Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.753 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 25.7 t -82.36 19.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.368 0.604 . . . . 0.0 110.346 177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -76.44 -15.47 59.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.21 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . 0.534 ' HA ' ' HB2' ' B' ' 94' ' ' ASP . 52.9 mtt180 -77.13 -94.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 61.86 -167.71 0.2 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.513 -172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.15 -45.5 54.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.314 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.13 -46.74 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.534 ' HB2' ' HA ' ' B' ' 90' ' ' ARG . 4.7 m-20 -78.29 -49.73 13.14 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.144 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -66.41 -4.14 7.57 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.11 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' B' ' 100' ' ' GLN . 73.3 ttt180 -83.1 -68.85 0.67 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.43 -40.61 96.07 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.8 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' B' ' 94' ' ' ASP . 7.0 mm-40 -66.01 -45.84 80.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.627 ' O ' HG23 ' B' ' 103' ' ' VAL . 1.9 tm? -62.87 -49.52 74.52 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 96' ' ' ARG . 11.5 mm100 -47.65 -43.68 26.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.664 0.268 . . . . 0.0 111.697 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' TYR . . . . . 0.672 ' O ' HG12 ' B' ' 105' ' ' VAL . 90.7 t80 -63.64 -43.73 95.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.619 -176.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' B' ' 106' ' ' GLN . 10.9 ptp180 -64.56 -29.39 70.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.542 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 99' ' ' LEU . 3.9 t -70.15 -41.98 79.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.752 0.311 . . . . 0.0 110.598 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' B' ' 108' ' ' ARG . 3.6 pt-20 -71.88 -35.9 69.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 177.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 101' ' ' TYR . 0.8 OUTLIER -67.47 -35.44 73.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 C-N-CA 119.647 -0.821 . . . . 0.0 109.907 174.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 102' ' ' ARG . 22.1 mm-40 -59.91 -40.41 88.73 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.0 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -59.1 -45.09 91.76 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.441 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' B' ' 104' ' ' GLU . 63.0 mtt180 -66.54 -55.13 16.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.369 0.604 . . . . 0.0 111.267 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 105' ' ' VAL . 73.5 t -55.17 -48.49 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.869 -176.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' TYR . . . . . 0.45 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 20.5 m-30 -63.35 -25.7 68.42 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.672 ' O ' ' HG3' ' B' ' 115' ' ' GLN . 63.8 tttp -71.26 -36.85 71.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' B' ' 113' ' ' GLU . 1.9 ptmt -66.46 -34.07 77.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 109.502 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.487 ' N ' ' HG2' ' B' ' 112' ' ' LYS . 14.7 mm-40 -60.19 -50.65 72.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.219 176.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.84 -33.33 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.027 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.672 ' HG3' ' O ' ' B' ' 111' ' ' LYS . 35.5 mt-30 -69.2 -42.3 75.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.452 . . . . 0.0 110.291 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.16 -46.07 82.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.055 174.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.555 HD21 HG23 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -55.64 -37.27 68.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.779 176.252 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 121' ' ' ILE . 14.7 t70 -63.64 -35.45 80.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.33 -178.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.81 -42.21 90.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.516 0.674 . . . . 0.0 109.386 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . 0.54 ' HB3' HG12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -65.11 -28.5 69.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.24 174.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' B' ' 125' ' ' GLU . 1.2 mp -54.18 -35.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 122.07 -0.394 . . . . 0.0 110.373 174.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 31.5 ttm180 -63.45 -40.41 97.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.447 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.638 ' HZ3' HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -59.43 -39.0 82.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.529 0.68 . . . . 0.0 109.561 175.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.704 ' O ' ' HG ' ' B' ' 128' ' ' LEU . 98.7 mt -66.51 -44.59 82.11 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.576 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' B' ' 121' ' ' ILE . 34.8 mt-10 -62.0 -32.61 73.1 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.273 0.358 . . . . 0.0 111.02 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' B' ' 122' ' ' ARG . 7.6 mmp_? -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.26 0.552 . . . . 0.0 109.541 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' B' ' 132' ' ' LEU . 0.8 OUTLIER -68.3 -37.65 80.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.903 178.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' B' ' 124' ' ' LEU . 77.1 mt -55.52 -54.48 43.37 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.229 0.537 . . . . 0.0 110.321 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.98 -22.93 67.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.296 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 19.8 t -83.67 -4.9 58.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.727 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.94 5.56 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.595 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' B' ' 127' ' ' LEU . 51.1 tp -76.4 -46.46 27.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 117.264 0.532 . . . . 0.0 111.129 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.844 -0.598 . . . . 0.0 110.597 -178.334 . . . . . . . . 0 0 . 1 stop_ save_